3-[(4-carbamoylphenyl)-methylsulfamoyl]-2-hydroxy-5-methylbenzoic acid

C16H16N2O6S — CID 146129356

IUPAC3-[(4-carbamoylphenyl)-methylsulfamoyl]-2-hydroxy-5-methylbenzoic acid
SMILESCc1cc(C(=O)O)c(O)c(S(=O)(=O)N(C)c2ccc(C(N)=O)cc2)c1
InChIInChI=1S/C16H16N2O6S/c1-9-7-12(16(21)22)14(19)13(8-9)25(23,24)18(2)11-5-3-10(4-6-11)15(17)20/h3-8,19H,1-2H3,(H2,17,20)(H,21,22)
InChIKeyTXNZDTWPSFJCDO-UHFFFAOYSA-N
MW364.38 g/mol
LogP1.32
Rot. Bonds5

About 3-[(4-carbamoylphenyl)-methylsulfamoyl]-2-hydroxy-5-methylbenzoic acid

3-[(4-carbamoylphenyl)-methylsulfamoyl]-2-hydroxy-5-methylbenzoic acid (PubChem CID 146129356) has the molecular formula C16H16N2O6S and a molecular weight of 364.38 g/mol. Its IUPAC name is 3-[(4-carbamoylphenyl)-methylsulfamoyl]-2-hydroxy-5-methylbenzoic acid.

Molecular Properties

Compound Name3-[(4-carbamoylphenyl)-methylsulfamoyl]-2-hydroxy-5-methylbenzoic acid
PubChem CID146129356
Molecular FormulaC16H16N2O6S
Molecular Weight364.38 g/mol
Exact Mass364.07
IUPAC Name3-[(4-carbamoylphenyl)-methylsulfamoyl]-2-hydroxy-5-methylbenzoic acid
SMILESCc1cc(C(=O)O)c(O)c(S(=O)(=O)N(C)c2ccc(C(N)=O)cc2)c1
InChIInChI=1S/C16H16N2O6S/c1-9-7-12(16(21)22)14(19)13(8-9)25(23,24)18(2)11-5-3-10(4-6-11)15(17)20/h3-8,19H,1-2H3,(H2,17,20)(H,21,22)
InChIKeyTXNZDTWPSFJCDO-UHFFFAOYSA-N
XLogP1.32
TPSA138.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-5-methyl-3-[methyl(naphthalen-2-yl)sulfamoyl]benzoic acid
CID 51127325
5-methyl-2-[methyl(phenyl)sulfamoyl]benzoic acid
CID 13394534
4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide
CID 1022029
4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 967709
4-chloro-3-[(4-hydroxyphenyl)-methylsulfamoyl]-5-methylbenzoic acid
CID 86807747
2,4-difluoro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoic acid
CID 51099020
4-[(2-fluoro-3-methylphenyl)sulfonyl-methylamino]benzoic acid
CID 138044023
3-[methyl(phenyl)sulfamoyl]benzamide
CID 47102696
4-[[3-(4-fluorophenyl)phenyl]sulfonyl-methylamino]benzamide
CID 68946402
4-[benzenesulfonyl(methyl)amino]benzoic acid
CID 804306
3,5-dichloro-N-(4-chlorophenyl)-2-hydroxy-N-methylbenzenesulfonamide
CID 4985281
4-[methyl-(4-methylphenyl)sulfonylamino]benzenecarbothioamide
CID 62970870

Frequently Asked Questions

What is the IUPAC name of 3-[(4-carbamoylphenyl)-methylsulfamoyl]-2-hydroxy-5-methylbenzoic acid?
The IUPAC name of 3-[(4-carbamoylphenyl)-methylsulfamoyl]-2-hydroxy-5-methylbenzoic acid (CID 146129356) is 3-[(4-carbamoylphenyl)-methylsulfamoyl]-2-hydroxy-5-methylbenzoic acid.
What is the SMILES notation for 3-[(4-carbamoylphenyl)-methylsulfamoyl]-2-hydroxy-5-methylbenzoic acid?
The canonical SMILES for 3-[(4-carbamoylphenyl)-methylsulfamoyl]-2-hydroxy-5-methylbenzoic acid is Cc1cc(C(=O)O)c(O)c(S(=O)(=O)N(C)c2ccc(C(N)=O)cc2)c1.
What is the InChIKey of 3-[(4-carbamoylphenyl)-methylsulfamoyl]-2-hydroxy-5-methylbenzoic acid?
The InChIKey is TXNZDTWPSFJCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O6S/c1-9-7-12(16(21)22)14(19)13(8-9)25(23,24)18(2)11-5-3-10(4-6-11)15(17)20/h3-8,19H,1-2H3,(H2,17,20)(H,21,22).
What are the key properties of 3-[(4-carbamoylphenyl)-methylsulfamoyl]-2-hydroxy-5-methylbenzoic acid?
3-[(4-carbamoylphenyl)-methylsulfamoyl]-2-hydroxy-5-methylbenzoic acid has a molecular weight of 364.38 g/mol, XLogP of 1.32, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-carbamoylphenyl)-methylsulfamoyl]-2-hydroxy-5-methylbenzoic acid is sourced from PubChem (CID 146129356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).