4-[[(Z)-N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]amino]benzoic acid

C20H15ClN2O4S — CID 6156703

IUPAC4-[[(Z)-N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]amino]benzoic acid
SMILESO=C(O)c1ccc(N/C(=N\S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)cc1
InChIInChI=1S/C20H15ClN2O4S/c21-16-8-12-18(13-9-16)28(26,27)23-19(14-4-2-1-3-5-14)22-17-10-6-15(7-11-17)20(24)25/h1-13H,(H,22,23)(H,24,25)
InChIKeyIOUOGVAXDBFUIR-UHFFFAOYSA-N
MW414.87 g/mol
LogP4.29
Rot. Bonds5

About 4-[[(Z)-N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]amino]benzoic acid

4-[[(Z)-N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]amino]benzoic acid (PubChem CID 6156703) has the molecular formula C20H15ClN2O4S and a molecular weight of 414.87 g/mol. Its IUPAC name is 4-[[(Z)-N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[(Z)-N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]amino]benzoic acid
PubChem CID6156703
Molecular FormulaC20H15ClN2O4S
Molecular Weight414.87 g/mol
Exact Mass414.04
IUPAC Name4-[[(Z)-N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]amino]benzoic acid
SMILESO=C(O)c1ccc(N/C(=N\S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)cc1
InChIInChI=1S/C20H15ClN2O4S/c21-16-8-12-18(13-9-16)28(26,27)23-19(14-4-2-1-3-5-14)22-17-10-6-15(7-11-17)20(24)25/h1-13H,(H,22,23)(H,24,25)
InChIKeyIOUOGVAXDBFUIR-UHFFFAOYSA-N
XLogP4.29
TPSA95.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.87
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-(benzenesulfonyl)-N-(4-chlorophenyl)benzenecarboximidamide
CID 6387422
N'-(4-chlorophenyl)sulfonyl-N-(4-sulfamoylphenyl)benzenecarboximidamide
CID 2950669
N'-(4-chlorophenyl)sulfonyl-N-(3-hydroxyphenyl)benzenecarboximidamide
CID 4543922
N'-(4-chlorophenyl)sulfonyl-N-(3,5-ditert-butyl-4-hydroxyphenyl)benzenecarboximidamide
CID 34071723
1-[N-(benzenesulfonyl)-C-phenylcarbonimidoyl]-3-(4-chlorophenyl)thiourea
CID 2303517
N-(4-acetylphenyl)-4-chloro-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide
CID 2982049
2-chloro-N'-(4-chlorophenyl)sulfonyl-N-phenylbenzenecarboximidamide
CID 3445259
N'-(4-chlorophenyl)sulfonyl-N-(2-methylphenyl)benzenecarboximidamide
CID 2331143
N'-(benzenesulfonyl)-N-(4-iodophenyl)benzenecarboximidamide
CID 4704503
N'-(4-chlorophenyl)sulfonyl-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzenecarboximidamide
CID 2355217
N'-(benzenesulfonyl)-4-fluoro-N-phenylbenzenecarboximidamide
CID 2177177
N'-(benzenesulfonyl)-4-chloro-N-(2-nitrophenyl)benzenecarboximidamide
CID 3445258

Frequently Asked Questions

What is the IUPAC name of 4-[[(Z)-N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]amino]benzoic acid?
The IUPAC name of 4-[[(Z)-N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]amino]benzoic acid (CID 6156703) is 4-[[(Z)-N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]amino]benzoic acid.
What is the SMILES notation for 4-[[(Z)-N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]amino]benzoic acid?
The canonical SMILES for 4-[[(Z)-N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]amino]benzoic acid is O=C(O)c1ccc(N/C(=N\S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)cc1.
What is the InChIKey of 4-[[(Z)-N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]amino]benzoic acid?
The InChIKey is IOUOGVAXDBFUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O4S/c21-16-8-12-18(13-9-16)28(26,27)23-19(14-4-2-1-3-5-14)22-17-10-6-15(7-11-17)20(24)25/h1-13H,(H,22,23)(H,24,25).
What are the key properties of 4-[[(Z)-N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]amino]benzoic acid?
4-[[(Z)-N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]amino]benzoic acid has a molecular weight of 414.87 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(Z)-N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]amino]benzoic acid is sourced from PubChem (CID 6156703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).