4-[cyclopropylmethyl(methyl)sulfamoyl]benzoic acid

C12H15NO4S — CID 60952032

IUPAC4-[cyclopropylmethyl(methyl)sulfamoyl]benzoic acid
SMILESCN(CC1CC1)S(=O)(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C12H15NO4S/c1-13(8-9-2-3-9)18(16,17)11-6-4-10(5-7-11)12(14)15/h4-7,9H,2-3,8H2,1H3,(H,14,15)
InChIKeyCCDGABAZJIDDRL-UHFFFAOYSA-N
MW269.32 g/mol
LogP1.42
Rot. Bonds5

About 4-[cyclopropylmethyl(methyl)sulfamoyl]benzoic acid

4-[cyclopropylmethyl(methyl)sulfamoyl]benzoic acid (PubChem CID 60952032) has the molecular formula C12H15NO4S and a molecular weight of 269.32 g/mol. Its IUPAC name is 4-[cyclopropylmethyl(methyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-[cyclopropylmethyl(methyl)sulfamoyl]benzoic acid
PubChem CID60952032
Molecular FormulaC12H15NO4S
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Name4-[cyclopropylmethyl(methyl)sulfamoyl]benzoic acid
SMILESCN(CC1CC1)S(=O)(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C12H15NO4S/c1-13(8-9-2-3-9)18(16,17)11-6-4-10(5-7-11)12(14)15/h4-7,9H,2-3,8H2,1H3,(H,14,15)
InChIKeyCCDGABAZJIDDRL-UHFFFAOYSA-N
XLogP1.42
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(cyclopropylmethyl)-4-N-methylbenzene-1,4-disulfonamide
CID 47291841
4-[[cyclopropylmethyl(methyl)sulfamoyl]methyl]benzoic acid
CID 60952320
5-[cyclopropylmethyl(methyl)sulfamoyl]-2-hydroxybenzoic acid
CID 54876183
N-(cyclopropylmethyl)-4-hydrazinyl-N-methylbenzenesulfonamide
CID 60985675
4-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]benzoic acid
CID 43215458
4-[cyclopentyl(methyl)sulfamoyl]benzoic acid
CID 43213257
4-[methyl(2-methylpropyl)sulfamoyl]benzoic acid
CID 43271840
N-(cyclopropylmethyl)-4-ethoxy-N-methylbenzenesulfonamide
CID 95748590
N-(cyclopropylmethyl)-N-methyl-4-[1-(methylamino)ethyl]benzenesulfonamide
CID 54884270
4-[cyclopropylmethyl(methyl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid
CID 60952181
2-[(4-acetylphenyl)sulfonyl-(cyclopropylmethyl)amino]acetic acid
CID 43656183
N-(cyclopentylmethyl)-4-hydrazinyl-N-methylbenzenesulfonamide
CID 55248102

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropylmethyl(methyl)sulfamoyl]benzoic acid?
The IUPAC name of 4-[cyclopropylmethyl(methyl)sulfamoyl]benzoic acid (CID 60952032) is 4-[cyclopropylmethyl(methyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 4-[cyclopropylmethyl(methyl)sulfamoyl]benzoic acid?
The canonical SMILES for 4-[cyclopropylmethyl(methyl)sulfamoyl]benzoic acid is CN(CC1CC1)S(=O)(=O)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[cyclopropylmethyl(methyl)sulfamoyl]benzoic acid?
The InChIKey is CCDGABAZJIDDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4S/c1-13(8-9-2-3-9)18(16,17)11-6-4-10(5-7-11)12(14)15/h4-7,9H,2-3,8H2,1H3,(H,14,15).
What are the key properties of 4-[cyclopropylmethyl(methyl)sulfamoyl]benzoic acid?
4-[cyclopropylmethyl(methyl)sulfamoyl]benzoic acid has a molecular weight of 269.32 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropylmethyl(methyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 60952032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).