3-chloro-N-(cyclopentylmethyl)propane-1-sulfonamide

C9H18ClNO2S — CID 43653853

IUPAC3-chloro-N-(cyclopentylmethyl)propane-1-sulfonamide
SMILESO=S(=O)(CCCCl)NCC1CCCC1
InChIInChI=1S/C9H18ClNO2S/c10-6-3-7-14(12,13)11-8-9-4-1-2-5-9/h9,11H,1-8H2
InChIKeyJRDWWPAYLGJSOY-UHFFFAOYSA-N
MW239.77 g/mol
LogP1.72
Rot. Bonds6

About 3-chloro-N-(cyclopentylmethyl)propane-1-sulfonamide

3-chloro-N-(cyclopentylmethyl)propane-1-sulfonamide (PubChem CID 43653853) has the molecular formula C9H18ClNO2S and a molecular weight of 239.77 g/mol. Its IUPAC name is 3-chloro-N-(cyclopentylmethyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-(cyclopentylmethyl)propane-1-sulfonamide
PubChem CID43653853
Molecular FormulaC9H18ClNO2S
Molecular Weight239.77 g/mol
Exact Mass239.07
IUPAC Name3-chloro-N-(cyclopentylmethyl)propane-1-sulfonamide
SMILESO=S(=O)(CCCCl)NCC1CCCC1
InChIInChI=1S/C9H18ClNO2S/c10-6-3-7-14(12,13)11-8-9-4-1-2-5-9/h9,11H,1-8H2
InChIKeyJRDWWPAYLGJSOY-UHFFFAOYSA-N
XLogP1.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(cyclopentylmethyl)propane-1-sulfonamide?
The IUPAC name of 3-chloro-N-(cyclopentylmethyl)propane-1-sulfonamide (CID 43653853) is 3-chloro-N-(cyclopentylmethyl)propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-(cyclopentylmethyl)propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-(cyclopentylmethyl)propane-1-sulfonamide is O=S(=O)(CCCCl)NCC1CCCC1.
What is the InChIKey of 3-chloro-N-(cyclopentylmethyl)propane-1-sulfonamide?
The InChIKey is JRDWWPAYLGJSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO2S/c10-6-3-7-14(12,13)11-8-9-4-1-2-5-9/h9,11H,1-8H2.
What are the key properties of 3-chloro-N-(cyclopentylmethyl)propane-1-sulfonamide?
3-chloro-N-(cyclopentylmethyl)propane-1-sulfonamide has a molecular weight of 239.77 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(cyclopentylmethyl)propane-1-sulfonamide is sourced from PubChem (CID 43653853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).