5-[cyclopropylmethyl(methyl)sulfamoyl]-2-hydroxybenzoic acid

C12H15NO5S — CID 54876183

IUPAC5-[cyclopropylmethyl(methyl)sulfamoyl]-2-hydroxybenzoic acid
SMILESCN(CC1CC1)S(=O)(=O)c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C12H15NO5S/c1-13(7-8-2-3-8)19(17,18)9-4-5-11(14)10(6-9)12(15)16/h4-6,8,14H,2-3,7H2,1H3,(H,15,16)
InChIKeyZYDJOASFNDXWQU-UHFFFAOYSA-N
MW285.32 g/mol
LogP1.12
Rot. Bonds5

About 5-[cyclopropylmethyl(methyl)sulfamoyl]-2-hydroxybenzoic acid

5-[cyclopropylmethyl(methyl)sulfamoyl]-2-hydroxybenzoic acid (PubChem CID 54876183) has the molecular formula C12H15NO5S and a molecular weight of 285.32 g/mol. Its IUPAC name is 5-[cyclopropylmethyl(methyl)sulfamoyl]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[cyclopropylmethyl(methyl)sulfamoyl]-2-hydroxybenzoic acid
PubChem CID54876183
Molecular FormulaC12H15NO5S
Molecular Weight285.32 g/mol
Exact Mass285.07
IUPAC Name5-[cyclopropylmethyl(methyl)sulfamoyl]-2-hydroxybenzoic acid
SMILESCN(CC1CC1)S(=O)(=O)c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C12H15NO5S/c1-13(7-8-2-3-8)19(17,18)9-4-5-11(14)10(6-9)12(15)16/h4-6,8,14H,2-3,7H2,1H3,(H,15,16)
InChIKeyZYDJOASFNDXWQU-UHFFFAOYSA-N
XLogP1.12
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[cyclopropylmethyl(methyl)sulfamoyl]benzoic acid
CID 60952032
5-[cyclopropylmethyl(methyl)sulfamoyl]-2-hydroxy-4-methylbenzoic acid
CID 60951459
2-hydroxy-5-[methyl(oxan-4-yl)sulfamoyl]benzoic acid
CID 43610875
4-N-(cyclopropylmethyl)-4-N-methylbenzene-1,4-disulfonamide
CID 47291841
N-(cyclobutylmethyl)-4-hydroxy-N-methyl-3-nitrobenzenesulfonamide
CID 62855121
2-hydroxy-5-[methyl(2-methylbutan-2-yl)sulfamoyl]benzoic acid
CID 63983665
2-bromo-5-[cyclopropylmethyl(ethyl)sulfamoyl]benzoic acid
CID 63954323
4-bromo-N-(cyclopropylmethyl)-3-fluoro-N-methylbenzenesulfonamide
CID 103697406
5-(cyclohexylmethylsulfamoyl)-2-hydroxybenzoic acid
CID 43091618
ethane;2-hydroxy-5-sulfobenzoic acid
CID 143907682
3-bromo-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide
CID 60985680
2-iodo-5-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoic acid
CID 103962419

Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropylmethyl(methyl)sulfamoyl]-2-hydroxybenzoic acid?
The IUPAC name of 5-[cyclopropylmethyl(methyl)sulfamoyl]-2-hydroxybenzoic acid (CID 54876183) is 5-[cyclopropylmethyl(methyl)sulfamoyl]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[cyclopropylmethyl(methyl)sulfamoyl]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[cyclopropylmethyl(methyl)sulfamoyl]-2-hydroxybenzoic acid is CN(CC1CC1)S(=O)(=O)c1ccc(O)c(C(=O)O)c1.
What is the InChIKey of 5-[cyclopropylmethyl(methyl)sulfamoyl]-2-hydroxybenzoic acid?
The InChIKey is ZYDJOASFNDXWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5S/c1-13(7-8-2-3-8)19(17,18)9-4-5-11(14)10(6-9)12(15)16/h4-6,8,14H,2-3,7H2,1H3,(H,15,16).
What are the key properties of 5-[cyclopropylmethyl(methyl)sulfamoyl]-2-hydroxybenzoic acid?
5-[cyclopropylmethyl(methyl)sulfamoyl]-2-hydroxybenzoic acid has a molecular weight of 285.32 g/mol, XLogP of 1.12, 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-hydroxybenzoic acid is sourced from PubChem (CID 54876183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).