1-chloro-N-ethyl-N-(2-ethylbutyl)methanesulfonamide

C9H20ClNO2S — CID 63663851

IUPAC1-chloro-N-ethyl-N-(2-ethylbutyl)methanesulfonamide
SMILESCCC(CC)CN(CC)S(=O)(=O)CCl
InChIInChI=1S/C9H20ClNO2S/c1-4-9(5-2)7-11(6-3)14(12,13)8-10/h9H,4-8H2,1-3H3
InChIKeyZAPAXUDKVYNLRM-UHFFFAOYSA-N
MW241.78 g/mol
LogP2.27
Rot. Bonds7

About 1-chloro-N-ethyl-N-(2-ethylbutyl)methanesulfonamide

1-chloro-N-ethyl-N-(2-ethylbutyl)methanesulfonamide (PubChem CID 63663851) has the molecular formula C9H20ClNO2S and a molecular weight of 241.78 g/mol. Its IUPAC name is 1-chloro-N-ethyl-N-(2-ethylbutyl)methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-ethyl-N-(2-ethylbutyl)methanesulfonamide
PubChem CID63663851
Molecular FormulaC9H20ClNO2S
Molecular Weight241.78 g/mol
Exact Mass241.09
IUPAC Name1-chloro-N-ethyl-N-(2-ethylbutyl)methanesulfonamide
SMILESCCC(CC)CN(CC)S(=O)(=O)CCl
InChIInChI=1S/C9H20ClNO2S/c1-4-9(5-2)7-11(6-3)14(12,13)8-10/h9H,4-8H2,1-3H3
InChIKeyZAPAXUDKVYNLRM-UHFFFAOYSA-N
XLogP2.27
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.78
LogP ≤ 52.27
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 1-chloro-N-ethyl-N-(2-ethylbutyl)methanesulfonamide?
The IUPAC name of 1-chloro-N-ethyl-N-(2-ethylbutyl)methanesulfonamide (CID 63663851) is 1-chloro-N-ethyl-N-(2-ethylbutyl)methanesulfonamide.
What is the SMILES notation for 1-chloro-N-ethyl-N-(2-ethylbutyl)methanesulfonamide?
The canonical SMILES for 1-chloro-N-ethyl-N-(2-ethylbutyl)methanesulfonamide is CCC(CC)CN(CC)S(=O)(=O)CCl.
What is the InChIKey of 1-chloro-N-ethyl-N-(2-ethylbutyl)methanesulfonamide?
The InChIKey is ZAPAXUDKVYNLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20ClNO2S/c1-4-9(5-2)7-11(6-3)14(12,13)8-10/h9H,4-8H2,1-3H3.
What are the key properties of 1-chloro-N-ethyl-N-(2-ethylbutyl)methanesulfonamide?
1-chloro-N-ethyl-N-(2-ethylbutyl)methanesulfonamide has a molecular weight of 241.78 g/mol, XLogP of 2.27, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-ethyl-N-(2-ethylbutyl)methanesulfonamide is sourced from PubChem (CID 63663851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).