2-chloro-N-ethyl-N-pentylethanesulfonamide

C9H20ClNO2S — CID 88604330

IUPAC2-chloro-N-ethyl-N-pentylethanesulfonamide
SMILESCCCCCN(CC)S(=O)(=O)CCCl
InChIInChI=1S/C9H20ClNO2S/c1-3-5-6-8-11(4-2)14(12,13)9-7-10/h3-9H2,1-2H3
InChIKeyYPUJQHWPZINEOC-UHFFFAOYSA-N
MW241.78 g/mol
LogP2.07
Rot. Bonds8

About 2-chloro-N-ethyl-N-pentylethanesulfonamide

2-chloro-N-ethyl-N-pentylethanesulfonamide (PubChem CID 88604330) has the molecular formula C9H20ClNO2S and a molecular weight of 241.78 g/mol. Its IUPAC name is 2-chloro-N-ethyl-N-pentylethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-N-pentylethanesulfonamide
PubChem CID88604330
Molecular FormulaC9H20ClNO2S
Molecular Weight241.78 g/mol
Exact Mass241.09
IUPAC Name2-chloro-N-ethyl-N-pentylethanesulfonamide
SMILESCCCCCN(CC)S(=O)(=O)CCCl
InChIInChI=1S/C9H20ClNO2S/c1-3-5-6-8-11(4-2)14(12,13)9-7-10/h3-9H2,1-2H3
InChIKeyYPUJQHWPZINEOC-UHFFFAOYSA-N
XLogP2.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.78
LogP ≤ 52.07
H-Bond Donors ≤ 50
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

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3-chloro-N,N-diethylpropane-1-sulfonamide
CID 10262652
1-[(3-Chloropropyl)sulfonyl]piperidine
CID 10331256
N,N-dibutylpentane-1-sulfonamide
CID 14367738
N,N-dibutyl-3-chloropropane-1-sulfonamide
CID 14598843
N-butyl-5-chloro-N-methyl-pentanesulfonamide
CID 19711033
N,N-diethyl-6-chlorohexanesulfonamide
CID 22111559
5-chloro-N,N-dipropylpentane-1-sulfonamide
CID 22111563
N,N-dibutyl-5-chloropentane-1-sulfonamide
CID 22111565
N,N-diethyl-5-chloropentanesulfonamide
CID 22111600
N,N-dibutyl-6-chlorohexane-1-sulfonamide
CID 22111601

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-N-pentylethanesulfonamide?
The IUPAC name of 2-chloro-N-ethyl-N-pentylethanesulfonamide (CID 88604330) is 2-chloro-N-ethyl-N-pentylethanesulfonamide.
What is the SMILES notation for 2-chloro-N-ethyl-N-pentylethanesulfonamide?
The canonical SMILES for 2-chloro-N-ethyl-N-pentylethanesulfonamide is CCCCCN(CC)S(=O)(=O)CCCl.
What is the InChIKey of 2-chloro-N-ethyl-N-pentylethanesulfonamide?
The InChIKey is YPUJQHWPZINEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20ClNO2S/c1-3-5-6-8-11(4-2)14(12,13)9-7-10/h3-9H2,1-2H3.
What are the key properties of 2-chloro-N-ethyl-N-pentylethanesulfonamide?
2-chloro-N-ethyl-N-pentylethanesulfonamide has a molecular weight of 241.78 g/mol, XLogP of 2.07, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-N-pentylethanesulfonamide is sourced from PubChem (CID 88604330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).