200,000+ products from a single source!
sales@angenechem.com
100551-08-4 | Benzenesulfonic acid, 3-[[(3-amino-4-methylphenyl)sulfonyl]amino]-
CAS No: 100551-08-4 Catalog No: AG0002B4 MDL No:
Product Description
Catalog Number:
AG0002B4
Chemical Name:
Benzenesulfonic acid, 3-[[(3-amino-4-methylphenyl)sulfonyl]amino]-
CAS Number:
100551-08-4
Molecular Formula:
C13H14N2O5S2
Molecular Weight:
342.3907
IUPAC Name:
3-[(3-amino-4-methylphenyl)sulfonylamino]benzenesulfonic acid
InChI:
InChI=1S/C13H14N2O5S2/c1-9-5-6-11(8-13(9)14)21(16,17)15-10-3-2-4-12(7-10)22(18,19)20/h2-8,15H,14H2,1H3,(H,18,19,20)
InChI Key:
YPJWUSBIIYLIJP-UHFFFAOYSA-N
SMILES:
Nc1cc(ccc1C)S(=O)(=O)Nc1cccc(c1)S(=O)(=O)O
Properties
Complexity:
579
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.034g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
342.384g/mol
Monoisotopic Mass:
342.034g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
143A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.