5-chloro-N,N-diethylpentane-1-sulfonamide

C9H20ClNO2S — CID 22111600

IUPAC5-chloro-N,N-diethylpentane-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)CCCCCCl
InChIInChI=1S/C9H20ClNO2S/c1-3-11(4-2)14(12,13)9-7-5-6-8-10/h3-9H2,1-2H3
InChIKeyDRNJVCPGGIVOLQ-UHFFFAOYSA-N
MW241.78 g/mol
LogP2.07
Rot. Bonds8

About 5-chloro-N,N-diethylpentane-1-sulfonamide

5-chloro-N,N-diethylpentane-1-sulfonamide (PubChem CID 22111600) has the molecular formula C9H20ClNO2S and a molecular weight of 241.78 g/mol. Its IUPAC name is 5-chloro-N,N-diethylpentane-1-sulfonamide.

Molecular Properties

Compound Name5-chloro-N,N-diethylpentane-1-sulfonamide
PubChem CID22111600
Molecular FormulaC9H20ClNO2S
Molecular Weight241.78 g/mol
Exact Mass241.09
IUPAC Name5-chloro-N,N-diethylpentane-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)CCCCCCl
InChIInChI=1S/C9H20ClNO2S/c1-3-11(4-2)14(12,13)9-7-5-6-8-10/h3-9H2,1-2H3
InChIKeyDRNJVCPGGIVOLQ-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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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N,N-diethylpentane-1-sulfonamide?
The IUPAC name of 5-chloro-N,N-diethylpentane-1-sulfonamide (CID 22111600) is 5-chloro-N,N-diethylpentane-1-sulfonamide.
What is the SMILES notation for 5-chloro-N,N-diethylpentane-1-sulfonamide?
The canonical SMILES for 5-chloro-N,N-diethylpentane-1-sulfonamide is CCN(CC)S(=O)(=O)CCCCCCl.
What is the InChIKey of 5-chloro-N,N-diethylpentane-1-sulfonamide?
The InChIKey is DRNJVCPGGIVOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20ClNO2S/c1-3-11(4-2)14(12,13)9-7-5-6-8-10/h3-9H2,1-2H3.
What are the key properties of 5-chloro-N,N-diethylpentane-1-sulfonamide?
5-chloro-N,N-diethylpentane-1-sulfonamide 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 5-chloro-N,N-diethylpentane-1-sulfonamide is sourced from PubChem (CID 22111600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).