3-chloro-N-cyclopentyl-N,2-dimethylpropane-1-sulfonamide

C10H20ClNO2S — CID 79585288

IUPAC3-chloro-N-cyclopentyl-N,2-dimethylpropane-1-sulfonamide
SMILESCC(CCl)CS(=O)(=O)N(C)C1CCCC1
InChIInChI=1S/C10H20ClNO2S/c1-9(7-11)8-15(13,14)12(2)10-5-3-4-6-10/h9-10H,3-8H2,1-2H3
InChIKeyIBGBKXYAYZIBGH-UHFFFAOYSA-N
MW253.79 g/mol
LogP2.07
Rot. Bonds5

About 3-chloro-N-cyclopentyl-N,2-dimethylpropane-1-sulfonamide

3-chloro-N-cyclopentyl-N,2-dimethylpropane-1-sulfonamide (PubChem CID 79585288) has the molecular formula C10H20ClNO2S and a molecular weight of 253.79 g/mol. Its IUPAC name is 3-chloro-N-cyclopentyl-N,2-dimethylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-cyclopentyl-N,2-dimethylpropane-1-sulfonamide
PubChem CID79585288
Molecular FormulaC10H20ClNO2S
Molecular Weight253.79 g/mol
Exact Mass253.09
IUPAC Name3-chloro-N-cyclopentyl-N,2-dimethylpropane-1-sulfonamide
SMILESCC(CCl)CS(=O)(=O)N(C)C1CCCC1
InChIInChI=1S/C10H20ClNO2S/c1-9(7-11)8-15(13,14)12(2)10-5-3-4-6-10/h9-10H,3-8H2,1-2H3
InChIKeyIBGBKXYAYZIBGH-UHFFFAOYSA-N
XLogP2.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.79
LogP ≤ 52.07
H-Bond Donors ≤ 50
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 3-chloro-N-cyclopentyl-N,2-dimethylpropane-1-sulfonamide?
The IUPAC name of 3-chloro-N-cyclopentyl-N,2-dimethylpropane-1-sulfonamide (CID 79585288) is 3-chloro-N-cyclopentyl-N,2-dimethylpropane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-cyclopentyl-N,2-dimethylpropane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-cyclopentyl-N,2-dimethylpropane-1-sulfonamide is CC(CCl)CS(=O)(=O)N(C)C1CCCC1.
What is the InChIKey of 3-chloro-N-cyclopentyl-N,2-dimethylpropane-1-sulfonamide?
The InChIKey is IBGBKXYAYZIBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO2S/c1-9(7-11)8-15(13,14)12(2)10-5-3-4-6-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 3-chloro-N-cyclopentyl-N,2-dimethylpropane-1-sulfonamide?
3-chloro-N-cyclopentyl-N,2-dimethylpropane-1-sulfonamide has a molecular weight of 253.79 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclopentyl-N,2-dimethylpropane-1-sulfonamide is sourced from PubChem (CID 79585288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).