N-(3-chloro-2-methylpropyl)cyclopentanesulfonamide

C9H18ClNO2S — CID 105361722

IUPACN-(3-chloro-2-methylpropyl)cyclopentanesulfonamide
SMILESCC(CCl)CNS(=O)(=O)C1CCCC1
InChIInChI=1S/C9H18ClNO2S/c1-8(6-10)7-11-14(12,13)9-4-2-3-5-9/h8-9,11H,2-7H2,1H3
InChIKeyWXICRRAODFUUDF-UHFFFAOYSA-N
MW239.77 g/mol
LogP1.72
Rot. Bonds5

About N-(3-chloro-2-methylpropyl)cyclopentanesulfonamide

N-(3-chloro-2-methylpropyl)cyclopentanesulfonamide (PubChem CID 105361722) has the molecular formula C9H18ClNO2S and a molecular weight of 239.77 g/mol. Its IUPAC name is N-(3-chloro-2-methylpropyl)cyclopentanesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylpropyl)cyclopentanesulfonamide
PubChem CID105361722
Molecular FormulaC9H18ClNO2S
Molecular Weight239.77 g/mol
Exact Mass239.07
IUPAC NameN-(3-chloro-2-methylpropyl)cyclopentanesulfonamide
SMILESCC(CCl)CNS(=O)(=O)C1CCCC1
InChIInChI=1S/C9H18ClNO2S/c1-8(6-10)7-11-14(12,13)9-4-2-3-5-9/h8-9,11H,2-7H2,1H3
InChIKeyWXICRRAODFUUDF-UHFFFAOYSA-N
XLogP1.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.77
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-2-methylbutyl)cyclopentanesulfonamide
CID 105361729
N-(5-chloro-4-methylpentyl)cyclopentanesulfonamide
CID 106158932
N-(2-ethylbutyl)cyclopentanesulfonamide
CID 115613328
N-(2-cyanopropyl)cyclohexanesulfonamide
CID 62651123
N-(2-amino-4-methylpentyl)cyclopentanesulfonamide
CID 105361370
N-(2-bromo-4-methylpentyl)cyclopentanesulfonamide
CID 107158183
N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]cyclohexanesulfonamide
CID 71997349
N-(3-chloro-2-methylpropyl)-1-cyclopropylmethanesulfonamide
CID 65036846
N-(4-chloro-2-methylbutyl)-1,1-dioxothiane-4-sulfonamide
CID 66091585
N-(3-chloro-2,2-dimethylpropyl)cyclohexanesulfonamide
CID 115365303
N-(1-chloro-3-methylbutan-2-yl)cyclohexanesulfonamide
CID 79267554
N-(3-chloro-2-methylpropyl)methanesulfonamide
CID 65036670

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylpropyl)cyclopentanesulfonamide?
The IUPAC name of N-(3-chloro-2-methylpropyl)cyclopentanesulfonamide (CID 105361722) is N-(3-chloro-2-methylpropyl)cyclopentanesulfonamide.
What is the SMILES notation for N-(3-chloro-2-methylpropyl)cyclopentanesulfonamide?
The canonical SMILES for N-(3-chloro-2-methylpropyl)cyclopentanesulfonamide is CC(CCl)CNS(=O)(=O)C1CCCC1.
What is the InChIKey of N-(3-chloro-2-methylpropyl)cyclopentanesulfonamide?
The InChIKey is WXICRRAODFUUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO2S/c1-8(6-10)7-11-14(12,13)9-4-2-3-5-9/h8-9,11H,2-7H2,1H3.
What are the key properties of N-(3-chloro-2-methylpropyl)cyclopentanesulfonamide?
N-(3-chloro-2-methylpropyl)cyclopentanesulfonamide has a molecular weight of 239.77 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylpropyl)cyclopentanesulfonamide is sourced from PubChem (CID 105361722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).