4-hydroxy-N-(2-methylcyclopentyl)-3-nitrobenzenesulfonamide

C12H16N2O5S — CID 63279541

IUPAC4-hydroxy-N-(2-methylcyclopentyl)-3-nitrobenzenesulfonamide
SMILESCC1CCCC1NS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C12H16N2O5S/c1-8-3-2-4-10(8)13-20(18,19)9-5-6-12(15)11(7-9)14(16)17/h5-8,10,13,15H,2-4H2,1H3
InChIKeyIBPXUGAAOZGSOD-UHFFFAOYSA-N
MW300.34 g/mol
LogP1.77
Rot. Bonds4

About 4-hydroxy-N-(2-methylcyclopentyl)-3-nitrobenzenesulfonamide

4-hydroxy-N-(2-methylcyclopentyl)-3-nitrobenzenesulfonamide (PubChem CID 63279541) has the molecular formula C12H16N2O5S and a molecular weight of 300.34 g/mol. Its IUPAC name is 4-hydroxy-N-(2-methylcyclopentyl)-3-nitrobenzenesulfonamide.

Molecular Properties

Compound Name4-hydroxy-N-(2-methylcyclopentyl)-3-nitrobenzenesulfonamide
PubChem CID63279541
Molecular FormulaC12H16N2O5S
Molecular Weight300.34 g/mol
Exact Mass300.08
IUPAC Name4-hydroxy-N-(2-methylcyclopentyl)-3-nitrobenzenesulfonamide
SMILESCC1CCCC1NS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C12H16N2O5S/c1-8-3-2-4-10(8)13-20(18,19)9-5-6-12(15)11(7-9)14(16)17/h5-8,10,13,15H,2-4H2,1H3
InChIKeyIBPXUGAAOZGSOD-UHFFFAOYSA-N
XLogP1.77
TPSA109.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 51.77
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'}

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Related Compounds

N-(2-aminocyclopropyl)-4-hydroxy-3-nitrobenzenesulfonamide
CID 43596900
4-hydroxy-3-nitro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79686161
N-(2-bromocyclopentyl)-4-methyl-3-nitrobenzenesulfonamide
CID 80662439
4-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-2-nitrophenol
CID 79181850
3-bromo-4-chloro-N-(2-methylcyclopentyl)benzenesulfonamide
CID 106612264
N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-hydroxy-3-nitrobenzenesulfonamide
CID 43597294
3,4-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 1256393
N-cyclopentyl-4-hydroxy-N-methyl-3-nitrobenzenesulfonamide
CID 43213246
2-chloro-5-[(2-methylcyclopentyl)sulfamoyl]benzoic acid
CID 63281524
3-amino-4-chloro-N-(2-methylcyclopentyl)benzenesulfonamide
CID 63277688
3-cyano-4-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide
CID 55172890
3-chloro-4-cyano-N-(2-methylcyclopentyl)benzenesulfonamide
CID 112689807

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(2-methylcyclopentyl)-3-nitrobenzenesulfonamide?
The IUPAC name of 4-hydroxy-N-(2-methylcyclopentyl)-3-nitrobenzenesulfonamide (CID 63279541) is 4-hydroxy-N-(2-methylcyclopentyl)-3-nitrobenzenesulfonamide.
What is the SMILES notation for 4-hydroxy-N-(2-methylcyclopentyl)-3-nitrobenzenesulfonamide?
The canonical SMILES for 4-hydroxy-N-(2-methylcyclopentyl)-3-nitrobenzenesulfonamide is CC1CCCC1NS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1.
What is the InChIKey of 4-hydroxy-N-(2-methylcyclopentyl)-3-nitrobenzenesulfonamide?
The InChIKey is IBPXUGAAOZGSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5S/c1-8-3-2-4-10(8)13-20(18,19)9-5-6-12(15)11(7-9)14(16)17/h5-8,10,13,15H,2-4H2,1H3.
What are the key properties of 4-hydroxy-N-(2-methylcyclopentyl)-3-nitrobenzenesulfonamide?
4-hydroxy-N-(2-methylcyclopentyl)-3-nitrobenzenesulfonamide has a molecular weight of 300.34 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(2-methylcyclopentyl)-3-nitrobenzenesulfonamide is sourced from PubChem (CID 63279541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).