USD $1.00-10.00 / Kilogram
USD $1.00-10.00 / Kilogram
USD $1.00-1.00 / Kilogram
USD $1.00-10.00 / Kilogram
USD $1.00-10.00 / Kilogram
USD $1.00-10.00 / Kilogram
identification and related records
【name】
benzenesulfonamide, n,n'-1,4-phenylenebis[4-amino-
【iupac name】
4-amino-n-[4-[(4-aminophenyl)sulfonylamino]phenyl]benzenesulfonamide
【cas registry number】
52257-15-5
【synonyms】
sulfanilamide,n1,n1'-p-phenylenebis- (6ci)
nsc 14655
【molecular formula】
c18h18 n4 o4 s2 (products with the same molecular formula)
【molecular weight】
0
【inchi】
inchi=1/c18h18n4o4s2/c19-13-1-9-17(10-2-13)27(23,24)21-15-5-7-16(8-6-15)22-28(25,26)18-11-3-14(20)4-12-18/h1-12,21-22h,19-20h2
【canonical smiles】
c1=cc(=cc=c1n)s(=o)(=o)nc2=cc=c(c=c2)ns(=o)(=o)c3=cc=c(c=c3)n
【mol file】
52257-15-5.mol
chemical and physical properties
【density】
1.537g/cm3
【boiling point】
682.8°cat760mmhg
【refractive index】
1.727
【flash point】
366.8°c
【computed properties】
molecular weight:418.48992 [g/mol]
molecular formula:c18h18n4o4s2
xlogp3:1.9
h-bond donor:4
h-bond acceptor:8
rotatable bond count:6
exact mass:418.076946
monoisotopic mass:418.076946
topological polar surface area:161
heavy atom count:28
formal charge:0
complexity:631
isotope atom count:0
defined atom stereocenter count:0
undefined atom stereocenter count:0
defined bond stereocenter count:0
undefined bond stereocenter count:0
covalently-bonded unit count:1
feature 3d acceptor count:4
feature 3d donor count:4
feature 3d cation count:2
feature 3d ring count:3
effective rotor count:6
conformer sampling rmsd:0.8
cid conformer count:94