3-[(4-nitrophenyl)sulfonylamino]cyclopentane-1-carboxylic acid

C12H14N2O6S — CID 66032166

IUPAC3-[(4-nitrophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1
InChIInChI=1S/C12H14N2O6S/c15-12(16)8-1-2-9(7-8)13-21(19,20)11-5-3-10(4-6-11)14(17)18/h3-6,8-9,13H,1-2,7H2,(H,15,16)
InChIKeyANVAPBOCZNQCHN-UHFFFAOYSA-N
MW314.32 g/mol
LogP1.13
Rot. Bonds5

About 3-[(4-nitrophenyl)sulfonylamino]cyclopentane-1-carboxylic acid

3-[(4-nitrophenyl)sulfonylamino]cyclopentane-1-carboxylic acid (PubChem CID 66032166) has the molecular formula C12H14N2O6S and a molecular weight of 314.32 g/mol. Its IUPAC name is 3-[(4-nitrophenyl)sulfonylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(4-nitrophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
PubChem CID66032166
Molecular FormulaC12H14N2O6S
Molecular Weight314.32 g/mol
Exact Mass314.06
IUPAC Name3-[(4-nitrophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1
InChIInChI=1S/C12H14N2O6S/c15-12(16)8-1-2-9(7-8)13-21(19,20)11-5-3-10(4-6-11)14(17)18/h3-6,8-9,13H,1-2,7H2,(H,15,16)
InChIKeyANVAPBOCZNQCHN-UHFFFAOYSA-N
XLogP1.13
TPSA126.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[(4-nitrophenyl)sulfonylamino]cyclopentane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(4-iodophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 66030163
N-(3-aminocyclohexyl)-4-nitrobenzenesulfonamide;hydrochloride
CID 86817751
3-(benzenesulfonamido)cyclohexane-1-carboxylic acid
CID 55145960
cis-(1R,3S)-3-[(6-cyano-3-pyridinyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 106321509
3-[(3-chloro-4-fluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 66031557
N-(1-methylpiperidin-4-yl)-4-nitrobenzenesulfonamide
CID 22772515
N-(azocan-5-yl)-4-nitrobenzenesulfonamide
CID 165494154
4-nitro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685610
cis-(1R,3S)-3-[(3-cyanophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 106321518
N-[(1S,3S)-3-methylcyclopentyl]-2-[(4-nitrophenyl)sulfonylamino]acetamide
CID 124679803
4-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 60808728
4-nitro-N-[1-(2-phenylacetyl)piperidin-4-yl]benzenesulfonamide
CID 108564334

Frequently Asked Questions

What is the IUPAC name of 3-[(4-nitrophenyl)sulfonylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(4-nitrophenyl)sulfonylamino]cyclopentane-1-carboxylic acid (CID 66032166) is 3-[(4-nitrophenyl)sulfonylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(4-nitrophenyl)sulfonylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(4-nitrophenyl)sulfonylamino]cyclopentane-1-carboxylic acid is O=C(O)C1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1.
What is the InChIKey of 3-[(4-nitrophenyl)sulfonylamino]cyclopentane-1-carboxylic acid?
The InChIKey is ANVAPBOCZNQCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O6S/c15-12(16)8-1-2-9(7-8)13-21(19,20)11-5-3-10(4-6-11)14(17)18/h3-6,8-9,13H,1-2,7H2,(H,15,16).
What are the key properties of 3-[(4-nitrophenyl)sulfonylamino]cyclopentane-1-carboxylic acid?
3-[(4-nitrophenyl)sulfonylamino]cyclopentane-1-carboxylic acid has a molecular weight of 314.32 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-nitrophenyl)sulfonylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66032166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).