2-[[3-[(2-nitrophenyl)sulfonylamino]phenyl]sulfonylamino]benzoic acid

C19H15N3O8S2 — CID 4830628

IUPAC2-[[3-[(2-nitrophenyl)sulfonylamino]phenyl]sulfonylamino]benzoic acid
SMILESO=C(O)c1ccccc1NS(=O)(=O)c1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C19H15N3O8S2/c23-19(24)15-8-1-2-9-16(15)21-31(27,28)14-7-5-6-13(12-14)20-32(29,30)18-11-4-3-10-17(18)22(25)26/h1-12,20-21H,(H,23,24)
InChIKeyDRKCZAXCXOWLRO-UHFFFAOYSA-N
MW477.48 g/mol
LogP2.89
Rot. Bonds8

About 2-[[3-[(2-nitrophenyl)sulfonylamino]phenyl]sulfonylamino]benzoic acid

2-[[3-[(2-nitrophenyl)sulfonylamino]phenyl]sulfonylamino]benzoic acid (PubChem CID 4830628) has the molecular formula C19H15N3O8S2 and a molecular weight of 477.48 g/mol. Its IUPAC name is 2-[[3-[(2-nitrophenyl)sulfonylamino]phenyl]sulfonylamino]benzoic acid.

Molecular Properties

Compound Name2-[[3-[(2-nitrophenyl)sulfonylamino]phenyl]sulfonylamino]benzoic acid
PubChem CID4830628
Molecular FormulaC19H15N3O8S2
Molecular Weight477.48 g/mol
Exact Mass477.03
IUPAC Name2-[[3-[(2-nitrophenyl)sulfonylamino]phenyl]sulfonylamino]benzoic acid
SMILESO=C(O)c1ccccc1NS(=O)(=O)c1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C19H15N3O8S2/c23-19(24)15-8-1-2-9-16(15)21-31(27,28)14-7-5-6-13(12-14)20-32(29,30)18-11-4-3-10-17(18)22(25)26/h1-12,20-21H,(H,23,24)
InChIKeyDRKCZAXCXOWLRO-UHFFFAOYSA-N
XLogP2.89
TPSA172.78 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.48
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]benzoic acid
CID 3768669
2-[(2-nitrophenyl)sulfonylamino]benzamide
CID 819659
1-[3-[(2-nitrophenyl)sulfonylamino]phenyl]-3-phenylurea
CID 31075653
2-nitro-N-(2-nitrophenyl)benzenesulfonamide
CID 2827773
2-[[4-(4-aminophenyl)-3-nitrophenyl]sulfonylamino]benzoic acid
CID 54444291
2-nitro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 17256523
2-[[3-[(4-nitrophenyl)sulfonylamino]benzoyl]amino]benzoic acid
CID 3761371
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-methyl-3-nitrobenzamide
CID 26593187
3-[(4-fluoro-3-nitrophenyl)sulfonylamino]benzoic acid
CID 45407612
2-[(2-nitrophenyl)sulfonylamino]-N-prop-2-enylbenzamide
CID 7933003
N-naphthalen-1-yl-2-nitrobenzenesulfonamide
CID 681787
N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-2-nitrobenzenesulfonamide
CID 2176221

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(2-nitrophenyl)sulfonylamino]phenyl]sulfonylamino]benzoic acid?
The IUPAC name of 2-[[3-[(2-nitrophenyl)sulfonylamino]phenyl]sulfonylamino]benzoic acid (CID 4830628) is 2-[[3-[(2-nitrophenyl)sulfonylamino]phenyl]sulfonylamino]benzoic acid.
What is the SMILES notation for 2-[[3-[(2-nitrophenyl)sulfonylamino]phenyl]sulfonylamino]benzoic acid?
The canonical SMILES for 2-[[3-[(2-nitrophenyl)sulfonylamino]phenyl]sulfonylamino]benzoic acid is O=C(O)c1ccccc1NS(=O)(=O)c1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1.
What is the InChIKey of 2-[[3-[(2-nitrophenyl)sulfonylamino]phenyl]sulfonylamino]benzoic acid?
The InChIKey is DRKCZAXCXOWLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O8S2/c23-19(24)15-8-1-2-9-16(15)21-31(27,28)14-7-5-6-13(12-14)20-32(29,30)18-11-4-3-10-17(18)22(25)26/h1-12,20-21H,(H,23,24).
What are the key properties of 2-[[3-[(2-nitrophenyl)sulfonylamino]phenyl]sulfonylamino]benzoic acid?
2-[[3-[(2-nitrophenyl)sulfonylamino]phenyl]sulfonylamino]benzoic acid has a molecular weight of 477.48 g/mol, XLogP of 2.89, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(2-nitrophenyl)sulfonylamino]phenyl]sulfonylamino]benzoic acid is sourced from PubChem (CID 4830628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).