4-[cyclopropylsulfonyl(methyl)amino]benzoic acid

C11H13NO4S — CID 104698286

IUPAC4-[cyclopropylsulfonyl(methyl)amino]benzoic acid
SMILESCN(c1ccc(C(=O)O)cc1)S(=O)(=O)C1CC1
InChIInChI=1S/C11H13NO4S/c1-12(17(15,16)10-6-7-10)9-4-2-8(3-5-9)11(13)14/h2-5,10H,6-7H2,1H3,(H,13,14)
InChIKeyALPJSKJPZMKRJG-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.31
Rot. Bonds4

About 4-[cyclopropylsulfonyl(methyl)amino]benzoic acid

4-[cyclopropylsulfonyl(methyl)amino]benzoic acid (PubChem CID 104698286) has the molecular formula C11H13NO4S and a molecular weight of 255.29 g/mol. Its IUPAC name is 4-[cyclopropylsulfonyl(methyl)amino]benzoic acid.

Molecular Properties

Compound Name4-[cyclopropylsulfonyl(methyl)amino]benzoic acid
PubChem CID104698286
Molecular FormulaC11H13NO4S
Molecular Weight255.29 g/mol
Exact Mass255.06
IUPAC Name4-[cyclopropylsulfonyl(methyl)amino]benzoic acid
SMILESCN(c1ccc(C(=O)O)cc1)S(=O)(=O)C1CC1
InChIInChI=1S/C11H13NO4S/c1-12(17(15,16)10-6-7-10)9-4-2-8(3-5-9)11(13)14/h2-5,10H,6-7H2,1H3,(H,13,14)
InChIKeyALPJSKJPZMKRJG-UHFFFAOYSA-N
XLogP1.31
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminophenyl)-N-methylcyclopropanesulfonamide
CID 64552177
N-(4-fluorophenyl)-N-methylcyclopropanesulfonamide
CID 126770597
4-[cyclopropylsulfonyl(2-hydroxyethyl)amino]benzoic acid
CID 64554499
4-[benzenesulfonyl(methyl)amino]benzoic acid
CID 804306
4-[[cyclopentylsulfonyl(methyl)amino]methyl]benzoic acid
CID 105360749
4-[methyl(oxolan-2-ylmethylsulfonyl)amino]benzoic acid
CID 104698285
N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-4-[cyclopropylsulfonyl(methyl)amino]benzamide
CID 164939981
4-[butylsulfonyl(methyl)amino]benzoic acid
CID 104698261
CID 69397190
CID 69397190
4-(dimethylamino)benzoic acid;hydrochloride
CID 67236590
4-[cyclopentyl(methyl)sulfamoyl]benzoic acid
CID 43213257
4-cycloheptylsulfonylbenzoic acid
CID 82925823

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropylsulfonyl(methyl)amino]benzoic acid?
The IUPAC name of 4-[cyclopropylsulfonyl(methyl)amino]benzoic acid (CID 104698286) is 4-[cyclopropylsulfonyl(methyl)amino]benzoic acid.
What is the SMILES notation for 4-[cyclopropylsulfonyl(methyl)amino]benzoic acid?
The canonical SMILES for 4-[cyclopropylsulfonyl(methyl)amino]benzoic acid is CN(c1ccc(C(=O)O)cc1)S(=O)(=O)C1CC1.
What is the InChIKey of 4-[cyclopropylsulfonyl(methyl)amino]benzoic acid?
The InChIKey is ALPJSKJPZMKRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4S/c1-12(17(15,16)10-6-7-10)9-4-2-8(3-5-9)11(13)14/h2-5,10H,6-7H2,1H3,(H,13,14).
What are the key properties of 4-[cyclopropylsulfonyl(methyl)amino]benzoic acid?
4-[cyclopropylsulfonyl(methyl)amino]benzoic acid has a molecular weight of 255.29 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropylsulfonyl(methyl)amino]benzoic acid is sourced from PubChem (CID 104698286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).