4-[[3-(methanesulfonamido)-4-methylphenyl]carbamoyl]benzoic acid

C16H16N2O5S — CID 146132998

IUPAC4-[[3-(methanesulfonamido)-4-methylphenyl]carbamoyl]benzoic acid
SMILESCc1ccc(NC(=O)c2ccc(C(=O)O)cc2)cc1NS(C)(=O)=O
InChIInChI=1S/C16H16N2O5S/c1-10-3-8-13(9-14(10)18-24(2,22)23)17-15(19)11-4-6-12(7-5-11)16(20)21/h3-9,18H,1-2H3,(H,17,19)(H,20,21)
InChIKeyMDYSASCHMPCLSK-UHFFFAOYSA-N
MW348.38 g/mol
LogP2.32
Rot. Bonds5

About 4-[[3-(methanesulfonamido)-4-methylphenyl]carbamoyl]benzoic acid

4-[[3-(methanesulfonamido)-4-methylphenyl]carbamoyl]benzoic acid (PubChem CID 146132998) has the molecular formula C16H16N2O5S and a molecular weight of 348.38 g/mol. Its IUPAC name is 4-[[3-(methanesulfonamido)-4-methylphenyl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name4-[[3-(methanesulfonamido)-4-methylphenyl]carbamoyl]benzoic acid
PubChem CID146132998
Molecular FormulaC16H16N2O5S
Molecular Weight348.38 g/mol
Exact Mass348.08
IUPAC Name4-[[3-(methanesulfonamido)-4-methylphenyl]carbamoyl]benzoic acid
SMILESCc1ccc(NC(=O)c2ccc(C(=O)O)cc2)cc1NS(C)(=O)=O
InChIInChI=1S/C16H16N2O5S/c1-10-3-8-13(9-14(10)18-24(2,22)23)17-15(19)11-4-6-12(7-5-11)16(20)21/h3-9,18H,1-2H3,(H,17,19)(H,20,21)
InChIKeyMDYSASCHMPCLSK-UHFFFAOYSA-N
XLogP2.32
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 41454864
N-(4-fluorophenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 19062500
N-[3-(benzenesulfonamido)-4-methylphenyl]-4-methylbenzamide
CID 55705717
4-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamoyl]benzoic acid
CID 45337189
2-chloro-N-[3-(methanesulfonamido)-4-methylphenyl]acetamide
CID 166404140
N-(4-ethoxyphenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 41465561
3-hydroxy-4-[[4-(methanesulfonamido)benzoyl]amino]benzoic acid
CID 108766490
2-cyano-N-[3-(methanesulfonamido)-4-methylphenyl]acetamide
CID 168520574
N-(4-bromo-3-methylphenyl)-4-(methanesulfonamido)-3-methylbenzamide
CID 19062672
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 19062512
3-fluoro-N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylbenzamide
CID 39975934
N-(4-iodo-2-methylphenyl)-4-(methanesulfonamido)benzamide
CID 1249872

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(methanesulfonamido)-4-methylphenyl]carbamoyl]benzoic acid?
The IUPAC name of 4-[[3-(methanesulfonamido)-4-methylphenyl]carbamoyl]benzoic acid (CID 146132998) is 4-[[3-(methanesulfonamido)-4-methylphenyl]carbamoyl]benzoic acid.
What is the SMILES notation for 4-[[3-(methanesulfonamido)-4-methylphenyl]carbamoyl]benzoic acid?
The canonical SMILES for 4-[[3-(methanesulfonamido)-4-methylphenyl]carbamoyl]benzoic acid is Cc1ccc(NC(=O)c2ccc(C(=O)O)cc2)cc1NS(C)(=O)=O.
What is the InChIKey of 4-[[3-(methanesulfonamido)-4-methylphenyl]carbamoyl]benzoic acid?
The InChIKey is MDYSASCHMPCLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5S/c1-10-3-8-13(9-14(10)18-24(2,22)23)17-15(19)11-4-6-12(7-5-11)16(20)21/h3-9,18H,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 4-[[3-(methanesulfonamido)-4-methylphenyl]carbamoyl]benzoic acid?
4-[[3-(methanesulfonamido)-4-methylphenyl]carbamoyl]benzoic acid has a molecular weight of 348.38 g/mol, XLogP of 2.32, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(methanesulfonamido)-4-methylphenyl]carbamoyl]benzoic acid is sourced from PubChem (CID 146132998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).