N-(4-chloropentan-2-yl)cyclopentanesulfonamide

C10H20ClNO2S — CID 105361812

IUPACN-(4-chloropentan-2-yl)cyclopentanesulfonamide
SMILESCC(Cl)CC(C)NS(=O)(=O)C1CCCC1
InChIInChI=1S/C10H20ClNO2S/c1-8(11)7-9(2)12-15(13,14)10-5-3-4-6-10/h8-10,12H,3-7H2,1-2H3
InChIKeyDJOFPDZNNRHQGR-UHFFFAOYSA-N
MW253.79 g/mol
LogP2.25
Rot. Bonds5

About N-(4-chloropentan-2-yl)cyclopentanesulfonamide

N-(4-chloropentan-2-yl)cyclopentanesulfonamide (PubChem CID 105361812) has the molecular formula C10H20ClNO2S and a molecular weight of 253.79 g/mol. Its IUPAC name is N-(4-chloropentan-2-yl)cyclopentanesulfonamide.

Molecular Properties

Compound NameN-(4-chloropentan-2-yl)cyclopentanesulfonamide
PubChem CID105361812
Molecular FormulaC10H20ClNO2S
Molecular Weight253.79 g/mol
Exact Mass253.09
IUPAC NameN-(4-chloropentan-2-yl)cyclopentanesulfonamide
SMILESCC(Cl)CC(C)NS(=O)(=O)C1CCCC1
InChIInChI=1S/C10H20ClNO2S/c1-8(11)7-9(2)12-15(13,14)10-5-3-4-6-10/h8-10,12H,3-7H2,1-2H3
InChIKeyDJOFPDZNNRHQGR-UHFFFAOYSA-N
XLogP2.25
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.79
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloropentan-2-yl)cyclopentanesulfonamide?
The IUPAC name of N-(4-chloropentan-2-yl)cyclopentanesulfonamide (CID 105361812) is N-(4-chloropentan-2-yl)cyclopentanesulfonamide.
What is the SMILES notation for N-(4-chloropentan-2-yl)cyclopentanesulfonamide?
The canonical SMILES for N-(4-chloropentan-2-yl)cyclopentanesulfonamide is CC(Cl)CC(C)NS(=O)(=O)C1CCCC1.
What is the InChIKey of N-(4-chloropentan-2-yl)cyclopentanesulfonamide?
The InChIKey is DJOFPDZNNRHQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO2S/c1-8(11)7-9(2)12-15(13,14)10-5-3-4-6-10/h8-10,12H,3-7H2,1-2H3.
What are the key properties of N-(4-chloropentan-2-yl)cyclopentanesulfonamide?
N-(4-chloropentan-2-yl)cyclopentanesulfonamide has a molecular weight of 253.79 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloropentan-2-yl)cyclopentanesulfonamide is sourced from PubChem (CID 105361812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).