N-(5-chloro-4-methylpentyl)cyclopentanesulfonamide

C11H22ClNO2S — CID 106158932

IUPACN-(5-chloro-4-methylpentyl)cyclopentanesulfonamide
SMILESCC(CCl)CCCNS(=O)(=O)C1CCCC1
InChIInChI=1S/C11H22ClNO2S/c1-10(9-12)5-4-8-13-16(14,15)11-6-2-3-7-11/h10-11,13H,2-9H2,1H3
InChIKeyRMQPVYOBRDOFIW-UHFFFAOYSA-N
MW267.82 g/mol
LogP2.50
Rot. Bonds7

About N-(5-chloro-4-methylpentyl)cyclopentanesulfonamide

N-(5-chloro-4-methylpentyl)cyclopentanesulfonamide (PubChem CID 106158932) has the molecular formula C11H22ClNO2S and a molecular weight of 267.82 g/mol. Its IUPAC name is N-(5-chloro-4-methylpentyl)cyclopentanesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-4-methylpentyl)cyclopentanesulfonamide
PubChem CID106158932
Molecular FormulaC11H22ClNO2S
Molecular Weight267.82 g/mol
Exact Mass267.11
IUPAC NameN-(5-chloro-4-methylpentyl)cyclopentanesulfonamide
SMILESCC(CCl)CCCNS(=O)(=O)C1CCCC1
InChIInChI=1S/C11H22ClNO2S/c1-10(9-12)5-4-8-13-16(14,15)11-6-2-3-7-11/h10-11,13H,2-9H2,1H3
InChIKeyRMQPVYOBRDOFIW-UHFFFAOYSA-N
XLogP2.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.82
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-2-methylpropyl)cyclopentanesulfonamide
CID 105361722
N-(4-chloro-2-methylbutyl)cyclopentanesulfonamide
CID 105361729
N-(4-hydroxypentyl)cyclopropanesulfonamide
CID 107271165
N-(3-aminobutyl)cyclopentanesulfonamide
CID 115752301
N-(3-bromobutyl)cyclohexanesulfonamide
CID 114297660
N-(5-bromo-4-methylpentyl)-1,1-dioxothiane-4-sulfonamide
CID 106158568
N-(5-amino-4-methylpentyl)-1,1-dioxothiane-4-sulfonamide
CID 106154133
N-(3-aminopropyl)cyclopentanesulfonamide
CID 115752131
N-(5-chloro-4-methylpentyl)cycloheptanamine
CID 106153204
N-(4-aminobutyl)cyclopentanesulfonamide
CID 105360505
N-(5-chloro-4-methylpentyl)-3-methylbutane-1-sulfonamide
CID 106158943
N-[3-(cyclopropylamino)propyl]cyclopentanesulfonamide
CID 105361362

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-4-methylpentyl)cyclopentanesulfonamide?
The IUPAC name of N-(5-chloro-4-methylpentyl)cyclopentanesulfonamide (CID 106158932) is N-(5-chloro-4-methylpentyl)cyclopentanesulfonamide.
What is the SMILES notation for N-(5-chloro-4-methylpentyl)cyclopentanesulfonamide?
The canonical SMILES for N-(5-chloro-4-methylpentyl)cyclopentanesulfonamide is CC(CCl)CCCNS(=O)(=O)C1CCCC1.
What is the InChIKey of N-(5-chloro-4-methylpentyl)cyclopentanesulfonamide?
The InChIKey is RMQPVYOBRDOFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO2S/c1-10(9-12)5-4-8-13-16(14,15)11-6-2-3-7-11/h10-11,13H,2-9H2,1H3.
What are the key properties of N-(5-chloro-4-methylpentyl)cyclopentanesulfonamide?
N-(5-chloro-4-methylpentyl)cyclopentanesulfonamide has a molecular weight of 267.82 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-4-methylpentyl)cyclopentanesulfonamide is sourced from PubChem (CID 106158932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).