4-methyl-3-(naphthalen-2-ylsulfonylamino)benzoic acid

C18H15NO4S — CID 2451680

IUPAC4-methyl-3-(naphthalen-2-ylsulfonylamino)benzoic acid
SMILESCc1ccc(C(=O)O)cc1NS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H15NO4S/c1-12-6-7-15(18(20)21)11-17(12)19-24(22,23)16-9-8-13-4-2-3-5-14(13)10-16/h2-11,19H,1H3,(H,20,21)
InChIKeyUWOKQUAPGOAGJO-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.65
Rot. Bonds4

About 4-methyl-3-(naphthalen-2-ylsulfonylamino)benzoic acid

4-methyl-3-(naphthalen-2-ylsulfonylamino)benzoic acid (PubChem CID 2451680) has the molecular formula C18H15NO4S and a molecular weight of 341.39 g/mol. Its IUPAC name is 4-methyl-3-(naphthalen-2-ylsulfonylamino)benzoic acid.

Molecular Properties

Compound Name4-methyl-3-(naphthalen-2-ylsulfonylamino)benzoic acid
PubChem CID2451680
Molecular FormulaC18H15NO4S
Molecular Weight341.39 g/mol
Exact Mass341.07
IUPAC Name4-methyl-3-(naphthalen-2-ylsulfonylamino)benzoic acid
SMILESCc1ccc(C(=O)O)cc1NS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H15NO4S/c1-12-6-7-15(18(20)21)11-17(12)19-24(22,23)16-9-8-13-4-2-3-5-14(13)10-16/h2-11,19H,1H3,(H,20,21)
InChIKeyUWOKQUAPGOAGJO-UHFFFAOYSA-N
XLogP3.65
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-methyl-3-(naphthalen-2-ylsulfonylamino)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,N,4-trimethyl-3-(naphthalen-2-ylsulfonylamino)benzamide
CID 60534940
N-[2-methyl-5-(4-methylpiperazine-1-carbonyl)phenyl]naphthalene-2-sulfonamide
CID 10320106
N-(2-methylphenyl)naphthalene-2-sulfonamide
CID 3308551
3-[(4-fluorophenyl)sulfonylamino]-4-methylbenzoic acid
CID 2341479
3-[(4-acetamidophenyl)sulfonylamino]-4-methylbenzoic acid
CID 2975645
3-[(4-acetamido-3-chlorophenyl)sulfonylamino]-4-methylbenzoic acid
CID 25047152
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-methylbenzoic acid
CID 4849086
4-methyl-3-(pyridin-3-ylsulfonylamino)benzoic acid
CID 24709903
3-[(5-bromo-2-methylphenyl)sulfamoyl]benzoic acid
CID 43715694
3-[(2-chlorophenyl)sulfonylamino]-4-methylbenzoic acid
CID 4801006
3-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-4-methylbenzoic acid
CID 2441956
3-[(5-chloro-2-methylphenyl)sulfamoyl]benzoic acid
CID 8504645

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(naphthalen-2-ylsulfonylamino)benzoic acid?
The IUPAC name of 4-methyl-3-(naphthalen-2-ylsulfonylamino)benzoic acid (CID 2451680) is 4-methyl-3-(naphthalen-2-ylsulfonylamino)benzoic acid.
What is the SMILES notation for 4-methyl-3-(naphthalen-2-ylsulfonylamino)benzoic acid?
The canonical SMILES for 4-methyl-3-(naphthalen-2-ylsulfonylamino)benzoic acid is Cc1ccc(C(=O)O)cc1NS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of 4-methyl-3-(naphthalen-2-ylsulfonylamino)benzoic acid?
The InChIKey is UWOKQUAPGOAGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4S/c1-12-6-7-15(18(20)21)11-17(12)19-24(22,23)16-9-8-13-4-2-3-5-14(13)10-16/h2-11,19H,1H3,(H,20,21).
What are the key properties of 4-methyl-3-(naphthalen-2-ylsulfonylamino)benzoic acid?
4-methyl-3-(naphthalen-2-ylsulfonylamino)benzoic acid has a molecular weight of 341.39 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(naphthalen-2-ylsulfonylamino)benzoic acid is sourced from PubChem (CID 2451680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).