4-(2-pyridin-4-ylethylsulfamoyl)benzoic acid

C14H14N2O4S — CID 60915127

IUPAC4-(2-pyridin-4-ylethylsulfamoyl)benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NCCc2ccncc2)cc1
InChIInChI=1S/C14H14N2O4S/c17-14(18)12-1-3-13(4-2-12)21(19,20)16-10-7-11-5-8-15-9-6-11/h1-6,8-9,16H,7,10H2,(H,17,18)
InChIKeyFAFISLUSOYTHNI-UHFFFAOYSA-N
MW306.34 g/mol
LogP1.30
Rot. Bonds6

About 4-(2-pyridin-4-ylethylsulfamoyl)benzoic acid

4-(2-pyridin-4-ylethylsulfamoyl)benzoic acid (PubChem CID 60915127) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is 4-(2-pyridin-4-ylethylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name4-(2-pyridin-4-ylethylsulfamoyl)benzoic acid
PubChem CID60915127
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Name4-(2-pyridin-4-ylethylsulfamoyl)benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NCCc2ccncc2)cc1
InChIInChI=1S/C14H14N2O4S/c17-14(18)12-1-3-13(4-2-12)21(19,20)16-10-7-11-5-8-15-9-6-11/h1-6,8-9,16H,7,10H2,(H,17,18)
InChIKeyFAFISLUSOYTHNI-UHFFFAOYSA-N
XLogP1.30
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(2-pyridin-4-ylethylsulfamoyl)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-pyridin-4-ylethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 3758461
4-(2-hydroxyethylsulfamoyl)benzoic acid
CID 15944537
4-[2-(1H-pyrrol-3-yl)ethylsulfamoyl]benzoic acid
CID 110789467
4-[2-(1H-pyrazol-4-ylsulfonylamino)ethyl]benzoic acid
CID 60917023
N-methyl-4-(propylsulfamoyl)-N-(2-pyridin-4-ylethyl)benzamide
CID 109058007
6-chloro-N-(2-pyridin-4-ylethyl)pyridine-3-sulfonamide
CID 54944076
4-[(E)-3-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]-3-pyridin-3-ylprop-2-enyl]benzoic acid
CID 10346995
2-[4-[2-[(4-acetylphenyl)sulfonylamino]ethyl]phenyl]acetic acid
CID 12945846
4-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methylsulfamoyl]benzoic acid
CID 108784354
4-acetyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 60729005
4-(2-propan-2-yloxyethylsulfamoyl)benzoic acid
CID 113449953
4-amino-3-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 82844779

Frequently Asked Questions

What is the IUPAC name of 4-(2-pyridin-4-ylethylsulfamoyl)benzoic acid?
The IUPAC name of 4-(2-pyridin-4-ylethylsulfamoyl)benzoic acid (CID 60915127) is 4-(2-pyridin-4-ylethylsulfamoyl)benzoic acid.
What is the SMILES notation for 4-(2-pyridin-4-ylethylsulfamoyl)benzoic acid?
The canonical SMILES for 4-(2-pyridin-4-ylethylsulfamoyl)benzoic acid is O=C(O)c1ccc(S(=O)(=O)NCCc2ccncc2)cc1.
What is the InChIKey of 4-(2-pyridin-4-ylethylsulfamoyl)benzoic acid?
The InChIKey is FAFISLUSOYTHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c17-14(18)12-1-3-13(4-2-12)21(19,20)16-10-7-11-5-8-15-9-6-11/h1-6,8-9,16H,7,10H2,(H,17,18).
What are the key properties of 4-(2-pyridin-4-ylethylsulfamoyl)benzoic acid?
4-(2-pyridin-4-ylethylsulfamoyl)benzoic acid has a molecular weight of 306.34 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyridin-4-ylethylsulfamoyl)benzoic acid is sourced from PubChem (CID 60915127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).