4-(N-(4-sulfamoylphenyl)anilino)benzoic acid

C19H16N2O4S — CID 174477700

IUPAC4-(N-(4-sulfamoylphenyl)anilino)benzoic acid
SMILESNS(=O)(=O)c1ccc(N(c2ccccc2)c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C19H16N2O4S/c20-26(24,25)18-12-10-17(11-13-18)21(15-4-2-1-3-5-15)16-8-6-14(7-9-16)19(22)23/h1-13H,(H,22,23)(H2,20,24,25)
InChIKeyZYYWJPDOGYFGNM-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.50
Rot. Bonds5

About 4-(N-(4-sulfamoylphenyl)anilino)benzoic acid

4-(N-(4-sulfamoylphenyl)anilino)benzoic acid (PubChem CID 174477700) has the molecular formula C19H16N2O4S and a molecular weight of 368.41 g/mol. Its IUPAC name is 4-(N-(4-sulfamoylphenyl)anilino)benzoic acid.

Molecular Properties

Compound Name4-(N-(4-sulfamoylphenyl)anilino)benzoic acid
PubChem CID174477700
Molecular FormulaC19H16N2O4S
Molecular Weight368.41 g/mol
Exact Mass368.08
IUPAC Name4-(N-(4-sulfamoylphenyl)anilino)benzoic acid
SMILESNS(=O)(=O)c1ccc(N(c2ccccc2)c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C19H16N2O4S/c20-26(24,25)18-12-10-17(11-13-18)21(15-4-2-1-3-5-15)16-8-6-14(7-9-16)19(22)23/h1-13H,(H,22,23)(H2,20,24,25)
InChIKeyZYYWJPDOGYFGNM-UHFFFAOYSA-N
XLogP3.50
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(N-fluoroanilino)benzenesulfonamide
CID 174932224
4-benzoylbenzenesulfonamide
CID 70209200
4-[[4-(N-phenylanilino)phenyl]methyl]benzoic acid
CID 175081010
4-(2,2-dimethylpropanoyl)benzenesulfonamide;4-sulfamoylbenzoic acid
CID 159148470
4-[[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide
CID 25041425
4-[[4-(4-sulfamoylphenyl)phenyl]methyl]benzoic acid
CID 122194782
4-(4-benzoylpiperazine-1-carbonyl)benzenesulfonamide
CID 146048142
3-(N-[4-[N-(3-carboxyphenyl)-4-[N-(3-carboxyphenyl)-4-[N-(3-carboxyphenyl)-4-(N-(3-carboxyphenyl)anilino)anilino]anilino]anilino]phenyl]anilino)benzoic acid
CID 101061815
pyridine-4-carboxamide;4-sulfamoylbenzoic acid
CID 139186564
2,2-dimethyl-1-[4-(N-phenylanilino)phenyl]propan-1-one
CID 86015033
4-[benzenesulfonyl(methyl)amino]benzoic acid
CID 804306
4-[amino-(N-aminoanilino)amino]benzoic acid;ethanethiol
CID 144503984

Frequently Asked Questions

What is the IUPAC name of 4-(N-(4-sulfamoylphenyl)anilino)benzoic acid?
The IUPAC name of 4-(N-(4-sulfamoylphenyl)anilino)benzoic acid (CID 174477700) is 4-(N-(4-sulfamoylphenyl)anilino)benzoic acid.
What is the SMILES notation for 4-(N-(4-sulfamoylphenyl)anilino)benzoic acid?
The canonical SMILES for 4-(N-(4-sulfamoylphenyl)anilino)benzoic acid is NS(=O)(=O)c1ccc(N(c2ccccc2)c2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-(N-(4-sulfamoylphenyl)anilino)benzoic acid?
The InChIKey is ZYYWJPDOGYFGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4S/c20-26(24,25)18-12-10-17(11-13-18)21(15-4-2-1-3-5-15)16-8-6-14(7-9-16)19(22)23/h1-13H,(H,22,23)(H2,20,24,25).
What are the key properties of 4-(N-(4-sulfamoylphenyl)anilino)benzoic acid?
4-(N-(4-sulfamoylphenyl)anilino)benzoic acid has a molecular weight of 368.41 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-(4-sulfamoylphenyl)anilino)benzoic acid is sourced from PubChem (CID 174477700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).