1-[methyl-(4-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid

C14H19NO4S — CID 22179814

IUPAC1-[methyl-(4-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
SMILESCc1ccc(S(=O)(=O)N(C)C2(C(=O)O)CCCC2)cc1
InChIInChI=1S/C14H19NO4S/c1-11-5-7-12(8-6-11)20(18,19)15(2)14(13(16)17)9-3-4-10-14/h5-8H,3-4,9-10H2,1-2H3,(H,16,17)
InChIKeyABZCYTOYXKFMPW-UHFFFAOYSA-N
MW297.38 g/mol
LogP2.01
Rot. Bonds4

About 1-[methyl-(4-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid

1-[methyl-(4-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid (PubChem CID 22179814) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is 1-[methyl-(4-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[methyl-(4-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
PubChem CID22179814
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name1-[methyl-(4-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
SMILESCc1ccc(S(=O)(=O)N(C)C2(C(=O)O)CCCC2)cc1
InChIInChI=1S/C14H19NO4S/c1-11-5-7-12(8-6-11)20(18,19)15(2)14(13(16)17)9-3-4-10-14/h5-8H,3-4,9-10H2,1-2H3,(H,16,17)
InChIKeyABZCYTOYXKFMPW-UHFFFAOYSA-N
XLogP2.01
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-N,4-dimethylbenzenesulfonamide
CID 62008627
1-(4-methylphenyl)sulfonylcycloheptane-1-carboxylic acid
CID 43519387
1-[2-carboxyethyl-[4-(4-fluorophenyl)phenyl]sulfonylamino]cyclopentane-1-carboxylic acid
CID 18690096
1-[[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-2-yl]methyl]phenyl]sulfonyl-methylamino]cyclohexane-1-carboxylic acid
CID 67630435
N-[3-(1-hydroxycyclobutyl)prop-2-ynyl]-N,4-dimethylbenzenesulfonamide
CID 102327104
N-(1-hydroxy-2,3-dihydroinden-1-yl)-N,4-dimethylbenzenesulfonamide
CID 19357623
N-[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]-N,4-dimethylbenzenesulfonamide
CID 70267678
(2S)-3-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]butanoic acid
CID 14236032
N-(1-adamantyl)-N,4-dimethylbenzenesulfonamide
CID 22204446
1-[1-(dimethylamino)cycloheptyl]-2-(4-methylphenyl)ethanone
CID 79075079
2-[[(1S,2S)-1,2-diaminocyclohexyl]-(4-methylphenyl)sulfonylamino]acetic acid
CID 67702849
1,1,3,3-tetrakis-(4-methylphenyl)sulfonylurea
CID 91209973

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-(4-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[methyl-(4-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid (CID 22179814) is 1-[methyl-(4-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[methyl-(4-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[methyl-(4-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid is Cc1ccc(S(=O)(=O)N(C)C2(C(=O)O)CCCC2)cc1.
What is the InChIKey of 1-[methyl-(4-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid?
The InChIKey is ABZCYTOYXKFMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-11-5-7-12(8-6-11)20(18,19)15(2)14(13(16)17)9-3-4-10-14/h5-8H,3-4,9-10H2,1-2H3,(H,16,17).
What are the key properties of 1-[methyl-(4-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid?
1-[methyl-(4-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid has a molecular weight of 297.38 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-(4-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 22179814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).