2-methyl-5-[(4-naphthalen-2-ylphenyl)sulfamoyl]benzoic acid

C24H19NO4S — CID 58937102

IUPAC2-methyl-5-[(4-naphthalen-2-ylphenyl)sulfamoyl]benzoic acid
SMILESCc1ccc(S(=O)(=O)Nc2ccc(-c3ccc4ccccc4c3)cc2)cc1C(=O)O
InChIInChI=1S/C24H19NO4S/c1-16-6-13-22(15-23(16)24(26)27)30(28,29)25-21-11-9-18(10-12-21)20-8-7-17-4-2-3-5-19(17)14-20/h2-15,25H,1H3,(H,26,27)
InChIKeyODGPQPCHBXUSSC-UHFFFAOYSA-N
MW417.49 g/mol
LogP5.31
Rot. Bonds5

About 2-methyl-5-[(4-naphthalen-2-ylphenyl)sulfamoyl]benzoic acid

2-methyl-5-[(4-naphthalen-2-ylphenyl)sulfamoyl]benzoic acid (PubChem CID 58937102) has the molecular formula C24H19NO4S and a molecular weight of 417.49 g/mol. Its IUPAC name is 2-methyl-5-[(4-naphthalen-2-ylphenyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-methyl-5-[(4-naphthalen-2-ylphenyl)sulfamoyl]benzoic acid
PubChem CID58937102
Molecular FormulaC24H19NO4S
Molecular Weight417.49 g/mol
Exact Mass417.10
IUPAC Name2-methyl-5-[(4-naphthalen-2-ylphenyl)sulfamoyl]benzoic acid
SMILESCc1ccc(S(=O)(=O)Nc2ccc(-c3ccc4ccccc4c3)cc2)cc1C(=O)O
InChIInChI=1S/C24H19NO4S/c1-16-6-13-22(15-23(16)24(26)27)30(28,29)25-21-11-9-18(10-12-21)20-8-7-17-4-2-3-5-19(17)14-20/h2-15,25H,1H3,(H,26,27)
InChIKeyODGPQPCHBXUSSC-UHFFFAOYSA-N
XLogP5.31
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.49
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-[(4-propan-2-yloxyphenyl)sulfamoyl]benzoic acid
CID 51113766
2-methyl-5-(phenylsulfamoyl)benzamide
CID 870864
5-[(3-carboxyphenyl)sulfamoyl]-2-methylbenzoic acid
CID 45407611
2-amino-5-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 134108932
2-hydroxy-5-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 2133740
5-[[4-(5-tert-butyl-1,3-benzoxazol-2-yl)phenyl]sulfamoyl]-2-methylbenzoic acid
CID 58937139
N-(3,5-dimethylphenyl)naphthalene-2-sulfonamide
CID 874153
5-[[4-[(3,5-difluorophenyl)methoxy]phenyl]sulfamoyl]-2-methylbenzoic acid
CID 58937182
N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 51163000
4-methyl-3-(naphthalen-2-ylsulfonylamino)benzoic acid
CID 2451680
2-(naphthalen-2-ylsulfonylamino)-5-(4-propylphenyl)benzoic acid
CID 122622825
2-[4-(naphthalen-2-ylsulfonylamino)phenyl]acetic acid
CID 2412067

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(4-naphthalen-2-ylphenyl)sulfamoyl]benzoic acid?
The IUPAC name of 2-methyl-5-[(4-naphthalen-2-ylphenyl)sulfamoyl]benzoic acid (CID 58937102) is 2-methyl-5-[(4-naphthalen-2-ylphenyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2-methyl-5-[(4-naphthalen-2-ylphenyl)sulfamoyl]benzoic acid?
The canonical SMILES for 2-methyl-5-[(4-naphthalen-2-ylphenyl)sulfamoyl]benzoic acid is Cc1ccc(S(=O)(=O)Nc2ccc(-c3ccc4ccccc4c3)cc2)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-[(4-naphthalen-2-ylphenyl)sulfamoyl]benzoic acid?
The InChIKey is ODGPQPCHBXUSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO4S/c1-16-6-13-22(15-23(16)24(26)27)30(28,29)25-21-11-9-18(10-12-21)20-8-7-17-4-2-3-5-19(17)14-20/h2-15,25H,1H3,(H,26,27).
What are the key properties of 2-methyl-5-[(4-naphthalen-2-ylphenyl)sulfamoyl]benzoic acid?
2-methyl-5-[(4-naphthalen-2-ylphenyl)sulfamoyl]benzoic acid has a molecular weight of 417.49 g/mol, XLogP of 5.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(4-naphthalen-2-ylphenyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 58937102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).