4-chloro-3-[(4-phenylbenzoyl)amino]benzenesulfonic acid

C19H14ClNO4S — CID 139946841

IUPAC4-chloro-3-[(4-phenylbenzoyl)amino]benzenesulfonic acid
SMILESO=C(Nc1cc(S(=O)(=O)O)ccc1Cl)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H14ClNO4S/c20-17-11-10-16(26(23,24)25)12-18(17)21-19(22)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H,21,22)(H,23,24,25)
InChIKeyCEPJBYZEOWWJHC-UHFFFAOYSA-N
MW387.84 g/mol
LogP4.51
Rot. Bonds4

About 4-chloro-3-[(4-phenylbenzoyl)amino]benzenesulfonic acid

4-chloro-3-[(4-phenylbenzoyl)amino]benzenesulfonic acid (PubChem CID 139946841) has the molecular formula C19H14ClNO4S and a molecular weight of 387.84 g/mol. Its IUPAC name is 4-chloro-3-[(4-phenylbenzoyl)amino]benzenesulfonic acid.

Molecular Properties

Compound Name4-chloro-3-[(4-phenylbenzoyl)amino]benzenesulfonic acid
PubChem CID139946841
Molecular FormulaC19H14ClNO4S
Molecular Weight387.84 g/mol
Exact Mass387.03
IUPAC Name4-chloro-3-[(4-phenylbenzoyl)amino]benzenesulfonic acid
SMILESO=C(Nc1cc(S(=O)(=O)O)ccc1Cl)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H14ClNO4S/c20-17-11-10-16(26(23,24)25)12-18(17)21-19(22)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H,21,22)(H,23,24,25)
InChIKeyCEPJBYZEOWWJHC-UHFFFAOYSA-N
XLogP4.51
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.84
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

4-chloro-3-[(4-methoxybenzoyl)amino]benzenesulfonic acid
CID 139946899
N-(2-chloro-5-methylsulfonylphenyl)benzamide
CID 8913636
N-(2-chloro-5-nitrophenyl)-4-phenylbenzamide
CID 5222418
N-[2-chloro-5-[(2-chlorophenyl)sulfamoyl]phenyl]-4-(phenylsulfamoyl)benzamide
CID 4049236
N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-4-phenylbenzamide
CID 28668422
N-(2,3-dichlorophenyl)-4-phenylbenzamide
CID 3094078
N-(2,5-dichlorophenyl)benzamide;hydroiodide
CID 175991469
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-phenylbenzamide
CID 26774002
3-[(4-chlorobenzoyl)amino]-4-methoxybenzenesulfonic acid
CID 139946873
N-(5-acetamido-2-chlorophenyl)-4-(benzenesulfonamido)benzamide
CID 55981241
N-(2-chloro-5-methylsulfonylphenyl)-4-(1,3-oxazol-5-yl)benzamide
CID 75479712
2-chloro-4-[(4-phenylbenzoyl)amino]benzoic acid
CID 28668403

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(4-phenylbenzoyl)amino]benzenesulfonic acid?
The IUPAC name of 4-chloro-3-[(4-phenylbenzoyl)amino]benzenesulfonic acid (CID 139946841) is 4-chloro-3-[(4-phenylbenzoyl)amino]benzenesulfonic acid.
What is the SMILES notation for 4-chloro-3-[(4-phenylbenzoyl)amino]benzenesulfonic acid?
The canonical SMILES for 4-chloro-3-[(4-phenylbenzoyl)amino]benzenesulfonic acid is O=C(Nc1cc(S(=O)(=O)O)ccc1Cl)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-chloro-3-[(4-phenylbenzoyl)amino]benzenesulfonic acid?
The InChIKey is CEPJBYZEOWWJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClNO4S/c20-17-11-10-16(26(23,24)25)12-18(17)21-19(22)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H,21,22)(H,23,24,25).
What are the key properties of 4-chloro-3-[(4-phenylbenzoyl)amino]benzenesulfonic acid?
4-chloro-3-[(4-phenylbenzoyl)amino]benzenesulfonic acid has a molecular weight of 387.84 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(4-phenylbenzoyl)amino]benzenesulfonic acid is sourced from PubChem (CID 139946841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).