3-[(2,5-dimethylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid

C14H19NO4S — CID 66031352

IUPAC3-[(2,5-dimethylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
SMILESCc1ccc(C)c(S(=O)(=O)NC2CCC(C(=O)O)C2)c1
InChIInChI=1S/C14H19NO4S/c1-9-3-4-10(2)13(7-9)20(18,19)15-12-6-5-11(8-12)14(16)17/h3-4,7,11-12,15H,5-6,8H2,1-2H3,(H,16,17)
InChIKeyQKQUVISYNGBMLF-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.84
Rot. Bonds4

About 3-[(2,5-dimethylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid

3-[(2,5-dimethylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid (PubChem CID 66031352) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is 3-[(2,5-dimethylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(2,5-dimethylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
PubChem CID66031352
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name3-[(2,5-dimethylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
SMILESCc1ccc(C)c(S(=O)(=O)NC2CCC(C(=O)O)C2)c1
InChIInChI=1S/C14H19NO4S/c1-9-3-4-10(2)13(7-9)20(18,19)15-12-6-5-11(8-12)14(16)17/h3-4,7,11-12,15H,5-6,8H2,1-2H3,(H,16,17)
InChIKeyQKQUVISYNGBMLF-UHFFFAOYSA-N
XLogP1.84
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,3S)-3-[(5-chloro-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 106321490
cis-(1R,3S)-3-[(5-cyano-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 106321633
4-[(2,5-dimethylphenyl)sulfonylamino]oxolane-3-carboxylic acid
CID 66240671
cis-(1R,3S)-3-[(4-chloro-2-methoxyphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 106321526
4-[(4-chloro-2-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 60808405
[3-[(2,5-dimethylphenyl)sulfonylamino]cyclohexyl] N-phenylcarbamate
CID 71794310
4-methyl-3-[(3-methylcyclohexyl)sulfamoyl]benzoic acid
CID 43317213
4-[(3-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 60808567
cis-(1R,3S)-3-[(4-methyl-3-methylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120678433
4-[[2-methyl-4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid
CID 120782359
N-(2-hydroxycyclohexyl)-2,5-dimethylbenzenesulfonamide
CID 55064031
N-(1-ethylpiperidin-4-yl)-2,5-dimethylbenzenesulfonamide
CID 17456820

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(2,5-dimethylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid (CID 66031352) is 3-[(2,5-dimethylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(2,5-dimethylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(2,5-dimethylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid is Cc1ccc(C)c(S(=O)(=O)NC2CCC(C(=O)O)C2)c1.
What is the InChIKey of 3-[(2,5-dimethylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid?
The InChIKey is QKQUVISYNGBMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-9-3-4-10(2)13(7-9)20(18,19)15-12-6-5-11(8-12)14(16)17/h3-4,7,11-12,15H,5-6,8H2,1-2H3,(H,16,17).
What are the key properties of 3-[(2,5-dimethylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid?
3-[(2,5-dimethylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid has a molecular weight of 297.38 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66031352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).