N-(4-chloro-2-methylbutyl)cyclopentanesulfonamide

C10H20ClNO2S — CID 105361729

IUPACN-(4-chloro-2-methylbutyl)cyclopentanesulfonamide
SMILESCC(CCCl)CNS(=O)(=O)C1CCCC1
InChIInChI=1S/C10H20ClNO2S/c1-9(6-7-11)8-12-15(13,14)10-4-2-3-5-10/h9-10,12H,2-8H2,1H3
InChIKeyGIJYQQKYLNMIPN-UHFFFAOYSA-N
MW253.79 g/mol
LogP2.11
Rot. Bonds6

About N-(4-chloro-2-methylbutyl)cyclopentanesulfonamide

N-(4-chloro-2-methylbutyl)cyclopentanesulfonamide (PubChem CID 105361729) has the molecular formula C10H20ClNO2S and a molecular weight of 253.79 g/mol. Its IUPAC name is N-(4-chloro-2-methylbutyl)cyclopentanesulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylbutyl)cyclopentanesulfonamide
PubChem CID105361729
Molecular FormulaC10H20ClNO2S
Molecular Weight253.79 g/mol
Exact Mass253.09
IUPAC NameN-(4-chloro-2-methylbutyl)cyclopentanesulfonamide
SMILESCC(CCCl)CNS(=O)(=O)C1CCCC1
InChIInChI=1S/C10H20ClNO2S/c1-9(6-7-11)8-12-15(13,14)10-4-2-3-5-10/h9-10,12H,2-8H2,1H3
InChIKeyGIJYQQKYLNMIPN-UHFFFAOYSA-N
XLogP2.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.79
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-chloro-2-methylbutyl)cyclopentanesulfonamide 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

N-(3-chloro-2-methylpropyl)cyclopentanesulfonamide
CID 105361722
N-(4-chloro-2-methylbutyl)-1,1-dioxothiane-4-sulfonamide
CID 66091585
N-(5-chloro-4-methylpentyl)cyclopentanesulfonamide
CID 106158932
N-(2-ethylbutyl)cyclopentanesulfonamide
CID 115613328
N-(2-bromo-4-methylpentyl)cyclopentanesulfonamide
CID 107158183
N-(2-cyanopropyl)cyclohexanesulfonamide
CID 62651123
N-(4-chloro-2-methylbutyl)pyrrolidine-1-sulfonamide
CID 66090656
N-(2-amino-4-methylpentyl)cyclopentanesulfonamide
CID 105361370
N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]cyclohexanesulfonamide
CID 71997349
N-(3-aminobutyl)cyclopentanesulfonamide
CID 115752301
2-[(cyclopentylsulfonylamino)methyl]butanoic acid
CID 105360867
N-(4-chloro-2-methylbutyl)cycloheptanamine
CID 82936912

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylbutyl)cyclopentanesulfonamide?
The IUPAC name of N-(4-chloro-2-methylbutyl)cyclopentanesulfonamide (CID 105361729) is N-(4-chloro-2-methylbutyl)cyclopentanesulfonamide.
What is the SMILES notation for N-(4-chloro-2-methylbutyl)cyclopentanesulfonamide?
The canonical SMILES for N-(4-chloro-2-methylbutyl)cyclopentanesulfonamide is CC(CCCl)CNS(=O)(=O)C1CCCC1.
What is the InChIKey of N-(4-chloro-2-methylbutyl)cyclopentanesulfonamide?
The InChIKey is GIJYQQKYLNMIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO2S/c1-9(6-7-11)8-12-15(13,14)10-4-2-3-5-10/h9-10,12H,2-8H2,1H3.
What are the key properties of N-(4-chloro-2-methylbutyl)cyclopentanesulfonamide?
N-(4-chloro-2-methylbutyl)cyclopentanesulfonamide has a molecular weight of 253.79 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylbutyl)cyclopentanesulfonamide is sourced from PubChem (CID 105361729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).