4-[[cyclopentylsulfonyl(methyl)amino]methyl]benzoic acid

C14H19NO4S — CID 105360749

IUPAC4-[[cyclopentylsulfonyl(methyl)amino]methyl]benzoic acid
SMILESCN(Cc1ccc(C(=O)O)cc1)S(=O)(=O)C1CCCC1
InChIInChI=1S/C14H19NO4S/c1-15(20(18,19)13-4-2-3-5-13)10-11-6-8-12(9-7-11)14(16)17/h6-9,13H,2-5,10H2,1H3,(H,16,17)
InChIKeyJLUIVGCWAFHBMH-UHFFFAOYSA-N
MW297.38 g/mol
LogP2.09
Rot. Bonds5

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

4-[[cyclopentylsulfonyl(methyl)amino]methyl]benzoic acid (PubChem CID 105360749) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is 4-[[cyclopentylsulfonyl(methyl)amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[cyclopentylsulfonyl(methyl)amino]methyl]benzoic acid
PubChem CID105360749
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name4-[[cyclopentylsulfonyl(methyl)amino]methyl]benzoic acid
SMILESCN(Cc1ccc(C(=O)O)cc1)S(=O)(=O)C1CCCC1
InChIInChI=1S/C14H19NO4S/c1-15(20(18,19)13-4-2-3-5-13)10-11-6-8-12(9-7-11)14(16)17/h6-9,13H,2-5,10H2,1H3,(H,16,17)
InChIKeyJLUIVGCWAFHBMH-UHFFFAOYSA-N
XLogP2.09
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[methyl-(2-phenylcyclopropyl)sulfonylamino]methyl]benzoic acid
CID 166331965
4-[[(2-cyclohexylsulfonyl-3-methylbutanoyl)-methylamino]methyl]benzoic acid
CID 119225898
4-[[acetyl(cyclopentyl)amino]methyl]benzoic acid
CID 20982029
4-[[bicyclo[4.1.0]heptane-7-carbonyl(methyl)amino]methyl]benzoic acid
CID 81369065
4-[cyclopropylsulfonyl(methyl)amino]benzoic acid
CID 104698286
N-[[3-(aminomethyl)phenyl]methyl]-N-methylcyclohexanesulfonamide
CID 61065125
4-[[methyl(pyrrolidine-1-carbonyl)amino]methyl]benzoic acid
CID 61187481
4-[[methyl-[(2S)-1-methylsulfonylpyrrolidine-2-carbonyl]amino]methyl]benzoic acid
CID 125148660
4-[[cyclopropylmethyl(methyl)sulfamoyl]methyl]benzoic acid
CID 60952320
4-[[methyl(oxan-4-yl)amino]methyl]benzoic acid
CID 43611411
4-[[azepane-1-carbonyl(methyl)amino]methyl]benzoic acid
CID 61188179
4-[[(2,2-dimethylcyclopentanecarbonyl)-methylamino]methyl]benzoic acid
CID 107175270

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopentylsulfonyl(methyl)amino]methyl]benzoic acid?
The IUPAC name of 4-[[cyclopentylsulfonyl(methyl)amino]methyl]benzoic acid (CID 105360749) is 4-[[cyclopentylsulfonyl(methyl)amino]methyl]benzoic acid.
What is the SMILES notation for 4-[[cyclopentylsulfonyl(methyl)amino]methyl]benzoic acid?
The canonical SMILES for 4-[[cyclopentylsulfonyl(methyl)amino]methyl]benzoic acid is CN(Cc1ccc(C(=O)O)cc1)S(=O)(=O)C1CCCC1.
What is the InChIKey of 4-[[cyclopentylsulfonyl(methyl)amino]methyl]benzoic acid?
The InChIKey is JLUIVGCWAFHBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-15(20(18,19)13-4-2-3-5-13)10-11-6-8-12(9-7-11)14(16)17/h6-9,13H,2-5,10H2,1H3,(H,16,17).
What are the key properties of 4-[[cyclopentylsulfonyl(methyl)amino]methyl]benzoic acid?
4-[[cyclopentylsulfonyl(methyl)amino]methyl]benzoic acid has a molecular weight of 297.38 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopentylsulfonyl(methyl)amino]methyl]benzoic acid is sourced from PubChem (CID 105360749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).