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119-70-0 | Benzenesulfonic acid, 5-amino-2-[(4-aminophenyl)amino]-
CAS No: 119-70-0 Catalog No: AG000OZU MDL No:MFCD00025301
Product Description
Catalog Number:
AG000OZU
Chemical Name:
Benzenesulfonic acid, 5-amino-2-[(4-aminophenyl)amino]-
CAS Number:
119-70-0
Molecular Formula:
C12H13N3O3S
Molecular Weight:
279.3149
MDL Number:
MFCD00025301
IUPAC Name:
5-amino-2-(4-aminoanilino)benzenesulfonic acid
InChI:
InChI=1S/C12H13N3O3S/c13-8-1-4-10(5-2-8)15-11-6-3-9(14)7-12(11)19(16,17)18/h1-7,15H,13-14H2,(H,16,17,18)
InChI Key:
VKURVCNKVWKGLX-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)Nc1ccc(cc1S(=O)(=O)O)N
EC Number:
204-344-4
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.068g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
279.314g/mol
Monoisotopic Mass:
279.068g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Identification and characterization of small molecules as potent and specific EPAC2 antagonists. | Journal of medicinal chemistry 20130214 |
| Structure-activity relationship studies of a novel series of anthrax lethal factor inhibitors. | Bioorganic & medicinal chemistry 20090501 |
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