N-(2,3-dimethylcyclopentyl)-3-(1-hydroxyethyl)benzenesulfonamide

C15H23NO3S — CID 64922458

IUPACN-(2,3-dimethylcyclopentyl)-3-(1-hydroxyethyl)benzenesulfonamide
SMILESCC(O)c1cccc(S(=O)(=O)NC2CCC(C)C2C)c1
InChIInChI=1S/C15H23NO3S/c1-10-7-8-15(11(10)2)16-20(18,19)14-6-4-5-13(9-14)12(3)17/h4-6,9-12,15-17H,7-8H2,1-3H3
InChIKeyZHKHJCMNEWKYTN-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.45
Rot. Bonds4

About N-(2,3-dimethylcyclopentyl)-3-(1-hydroxyethyl)benzenesulfonamide

N-(2,3-dimethylcyclopentyl)-3-(1-hydroxyethyl)benzenesulfonamide (PubChem CID 64922458) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-(2,3-dimethylcyclopentyl)-3-(1-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclopentyl)-3-(1-hydroxyethyl)benzenesulfonamide
PubChem CID64922458
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC NameN-(2,3-dimethylcyclopentyl)-3-(1-hydroxyethyl)benzenesulfonamide
SMILESCC(O)c1cccc(S(=O)(=O)NC2CCC(C)C2C)c1
InChIInChI=1S/C15H23NO3S/c1-10-7-8-15(11(10)2)16-20(18,19)14-6-4-5-13(9-14)12(3)17/h4-6,9-12,15-17H,7-8H2,1-3H3
InChIKeyZHKHJCMNEWKYTN-UHFFFAOYSA-N
XLogP2.45
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylcyclopentyl)benzenesulfonamide
CID 64923273
N-(1,1-dioxothiolan-3-yl)-3-(1-hydroxyethyl)benzenesulfonamide
CID 43507358
3-(1-aminoethyl)-N-(3-ethyl-2-methylcyclopentyl)benzenesulfonamide
CID 64916220
3-[1-[(2,3-dimethylcyclopentyl)amino]ethyl]benzenesulfonamide
CID 64907782
3-acetyl-N-(2,3-dimethylcyclohexyl)benzenesulfonamide
CID 43081984
3-(3-aminoprop-1-ynyl)-N-(2,3-dimethylcyclopentyl)benzenesulfonamide
CID 64921082
3-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]sulfamoyl]benzoate
CID 11916136
3-[1-(ethylamino)ethyl]-N-(2-methylcyclopropyl)benzenesulfonamide
CID 62408236
N-(2,3-dimethylcyclopentyl)-4-fluorobenzenesulfonamide
CID 64907614
4-(1-hydroxyethyl)-N-(2-methylcyclopropyl)benzenesulfonamide
CID 62409796
3-cyano-N-(2,3-dimethylcyclohexyl)benzenesulfonamide
CID 43176217
3-(1-hydroxyethyl)-N-(1-phenylethyl)benzenesulfonamide
CID 43507304

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclopentyl)-3-(1-hydroxyethyl)benzenesulfonamide?
The IUPAC name of N-(2,3-dimethylcyclopentyl)-3-(1-hydroxyethyl)benzenesulfonamide (CID 64922458) is N-(2,3-dimethylcyclopentyl)-3-(1-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for N-(2,3-dimethylcyclopentyl)-3-(1-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for N-(2,3-dimethylcyclopentyl)-3-(1-hydroxyethyl)benzenesulfonamide is CC(O)c1cccc(S(=O)(=O)NC2CCC(C)C2C)c1.
What is the InChIKey of N-(2,3-dimethylcyclopentyl)-3-(1-hydroxyethyl)benzenesulfonamide?
The InChIKey is ZHKHJCMNEWKYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-10-7-8-15(11(10)2)16-20(18,19)14-6-4-5-13(9-14)12(3)17/h4-6,9-12,15-17H,7-8H2,1-3H3.
What are the key properties of N-(2,3-dimethylcyclopentyl)-3-(1-hydroxyethyl)benzenesulfonamide?
N-(2,3-dimethylcyclopentyl)-3-(1-hydroxyethyl)benzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclopentyl)-3-(1-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 64922458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).