5-[cyclopropylmethyl(methyl)sulfamoyl]-2-hydroxy-4-methylbenzoic acid

C13H17NO5S — CID 60951459

IUPAC5-[cyclopropylmethyl(methyl)sulfamoyl]-2-hydroxy-4-methylbenzoic acid
SMILESCc1cc(O)c(C(=O)O)cc1S(=O)(=O)N(C)CC1CC1
InChIInChI=1S/C13H17NO5S/c1-8-5-11(15)10(13(16)17)6-12(8)20(18,19)14(2)7-9-3-4-9/h5-6,9,15H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyKEKTXLZGAVZROH-UHFFFAOYSA-N
MW299.35 g/mol
LogP1.43
Rot. Bonds5

About 5-[cyclopropylmethyl(methyl)sulfamoyl]-2-hydroxy-4-methylbenzoic acid

5-[cyclopropylmethyl(methyl)sulfamoyl]-2-hydroxy-4-methylbenzoic acid (PubChem CID 60951459) has the molecular formula C13H17NO5S and a molecular weight of 299.35 g/mol. Its IUPAC name is 5-[cyclopropylmethyl(methyl)sulfamoyl]-2-hydroxy-4-methylbenzoic acid.

Molecular Properties

Compound Name5-[cyclopropylmethyl(methyl)sulfamoyl]-2-hydroxy-4-methylbenzoic acid
PubChem CID60951459
Molecular FormulaC13H17NO5S
Molecular Weight299.35 g/mol
Exact Mass299.08
IUPAC Name5-[cyclopropylmethyl(methyl)sulfamoyl]-2-hydroxy-4-methylbenzoic acid
SMILESCc1cc(O)c(C(=O)O)cc1S(=O)(=O)N(C)CC1CC1
InChIInChI=1S/C13H17NO5S/c1-8-5-11(15)10(13(16)17)6-12(8)20(18,19)14(2)7-9-3-4-9/h5-6,9,15H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyKEKTXLZGAVZROH-UHFFFAOYSA-N
XLogP1.43
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[cyclopropylmethyl(methyl)sulfamoyl]-2-hydroxybenzoic acid
CID 54876183
2-hydroxy-5-[2-methoxyethyl(methyl)sulfamoyl]-4-methylbenzoic acid
CID 61040560
4-[cyclopropylmethyl(methyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 55200554
5-[cyclopropylmethyl(methyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 60950394
2-hydroxy-4-methyl-5-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]benzoic acid
CID 115985591
5-[1-cyanopropan-2-yl(methyl)sulfamoyl]-2-hydroxy-4-methylbenzoic acid
CID 63223536
3-[3-[cyclopropylmethyl(methyl)sulfamoyl]-4-methylphenyl]prop-2-enoic acid
CID 76907912
5-bromo-4-[cyclopropylmethyl(methyl)sulfamoyl]thiophene-2-carboxylic acid
CID 60952478
2-amino-N-(cyclopropylmethyl)-N,4,5-trimethylbenzenesulfonamide
CID 60985638
2,4-dimethyl-5-[methyl(2-methylsulfanylethyl)sulfamoyl]benzoic acid
CID 115985507
5-[(2-fluorophenyl)-methylsulfamoyl]-2-hydroxy-4-methylbenzoic acid
CID 51127103
4-[cyclohexylmethyl(methyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63329128

Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropylmethyl(methyl)sulfamoyl]-2-hydroxy-4-methylbenzoic acid?
The IUPAC name of 5-[cyclopropylmethyl(methyl)sulfamoyl]-2-hydroxy-4-methylbenzoic acid (CID 60951459) is 5-[cyclopropylmethyl(methyl)sulfamoyl]-2-hydroxy-4-methylbenzoic acid.
What is the SMILES notation for 5-[cyclopropylmethyl(methyl)sulfamoyl]-2-hydroxy-4-methylbenzoic acid?
The canonical SMILES for 5-[cyclopropylmethyl(methyl)sulfamoyl]-2-hydroxy-4-methylbenzoic acid is Cc1cc(O)c(C(=O)O)cc1S(=O)(=O)N(C)CC1CC1.
What is the InChIKey of 5-[cyclopropylmethyl(methyl)sulfamoyl]-2-hydroxy-4-methylbenzoic acid?
The InChIKey is KEKTXLZGAVZROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5S/c1-8-5-11(15)10(13(16)17)6-12(8)20(18,19)14(2)7-9-3-4-9/h5-6,9,15H,3-4,7H2,1-2H3,(H,16,17).
What are the key properties of 5-[cyclopropylmethyl(methyl)sulfamoyl]-2-hydroxy-4-methylbenzoic acid?
5-[cyclopropylmethyl(methyl)sulfamoyl]-2-hydroxy-4-methylbenzoic acid has a molecular weight of 299.35 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropylmethyl(methyl)sulfamoyl]-2-hydroxy-4-methylbenzoic acid is sourced from PubChem (CID 60951459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).