2-[ethyl(phenyl)sulfamoyl]benzoic acid

C15H15NO4S — CID 18615557

IUPAC2-[ethyl(phenyl)sulfamoyl]benzoic acid
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)O
InChIInChI=1S/C15H15NO4S/c1-2-16(12-8-4-3-5-9-12)21(19,20)14-11-7-6-10-13(14)15(17)18/h3-11H,2H2,1H3,(H,17,18)
InChIKeyUGPVVUUGDRTRKA-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.60
Rot. Bonds5

About 2-[ethyl(phenyl)sulfamoyl]benzoic acid

2-[ethyl(phenyl)sulfamoyl]benzoic acid (PubChem CID 18615557) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-[ethyl(phenyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-[ethyl(phenyl)sulfamoyl]benzoic acid
PubChem CID18615557
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Name2-[ethyl(phenyl)sulfamoyl]benzoic acid
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)O
InChIInChI=1S/C15H15NO4S/c1-2-16(12-8-4-3-5-9-12)21(19,20)14-11-7-6-10-13(14)15(17)18/h3-11H,2H2,1H3,(H,17,18)
InChIKeyUGPVVUUGDRTRKA-UHFFFAOYSA-N
XLogP2.60
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl(phenyl)sulfamoyl]benzoic acid
CID 18615547
2-[ethyl(methyl)sulfamoyl]benzoic acid
CID 43263319
5-[ethyl(phenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60910761
2-[cyclopropylmethyl(ethyl)sulfamoyl]benzoic acid
CID 63955952
2-[1,1-difluoropropyl(methyl)sulfamoyl]benzoic acid
CID 142704998
2-[methoxy(methyl)sulfamoyl]benzoic acid
CID 13140209
2,4-dichloro-5-[ethyl(phenyl)sulfamoyl]-N-methyl-N-phenylbenzamide
CID 34495212
2-[(2-hydroxy-2-methylpropyl)-methylsulfamoyl]benzoic acid
CID 79390718
2-[(2-amino-2-oxoethyl)-methylsulfamoyl]benzoic acid
CID 43374078
methyl 3-[ethyl(phenyl)sulfamoyl]thiophene-2-carboxylate
CID 3367491
2-[butyl(2-hydroxyethyl)sulfamoyl]benzoic acid
CID 60951844
N-ethyl-2,4-dioxo-N-phenyl-1H-pyrimidine-5-sulfonamide
CID 7658256

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(phenyl)sulfamoyl]benzoic acid?
The IUPAC name of 2-[ethyl(phenyl)sulfamoyl]benzoic acid (CID 18615557) is 2-[ethyl(phenyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2-[ethyl(phenyl)sulfamoyl]benzoic acid?
The canonical SMILES for 2-[ethyl(phenyl)sulfamoyl]benzoic acid is CCN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)O.
What is the InChIKey of 2-[ethyl(phenyl)sulfamoyl]benzoic acid?
The InChIKey is UGPVVUUGDRTRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-2-16(12-8-4-3-5-9-12)21(19,20)14-11-7-6-10-13(14)15(17)18/h3-11H,2H2,1H3,(H,17,18).
What are the key properties of 2-[ethyl(phenyl)sulfamoyl]benzoic acid?
2-[ethyl(phenyl)sulfamoyl]benzoic acid has a molecular weight of 305.36 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(phenyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 18615557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).