3-chloro-N-ethyl-2-methyl-N-(2-methylprop-2-enyl)propane-1-sulfonamide

C10H20ClNO2S — CID 79580366

IUPAC3-chloro-N-ethyl-2-methyl-N-(2-methylprop-2-enyl)propane-1-sulfonamide
SMILESC=C(C)CN(CC)S(=O)(=O)CC(C)CCl
InChIInChI=1S/C10H20ClNO2S/c1-5-12(7-9(2)3)15(13,14)8-10(4)6-11/h10H,2,5-8H2,1,3-4H3
InChIKeyLTFBPHYTSHYELW-UHFFFAOYSA-N
MW253.79 g/mol
LogP2.09
Rot. Bonds7

About 3-chloro-N-ethyl-2-methyl-N-(2-methylprop-2-enyl)propane-1-sulfonamide

3-chloro-N-ethyl-2-methyl-N-(2-methylprop-2-enyl)propane-1-sulfonamide (PubChem CID 79580366) has the molecular formula C10H20ClNO2S and a molecular weight of 253.79 g/mol. Its IUPAC name is 3-chloro-N-ethyl-2-methyl-N-(2-methylprop-2-enyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-ethyl-2-methyl-N-(2-methylprop-2-enyl)propane-1-sulfonamide
PubChem CID79580366
Molecular FormulaC10H20ClNO2S
Molecular Weight253.79 g/mol
Exact Mass253.09
IUPAC Name3-chloro-N-ethyl-2-methyl-N-(2-methylprop-2-enyl)propane-1-sulfonamide
SMILESC=C(C)CN(CC)S(=O)(=O)CC(C)CCl
InChIInChI=1S/C10H20ClNO2S/c1-5-12(7-9(2)3)15(13,14)8-10(4)6-11/h10H,2,5-8H2,1,3-4H3
InChIKeyLTFBPHYTSHYELW-UHFFFAOYSA-N
XLogP2.09
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.79
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-chloro-N-ethyl-2-methyl-N-(2-methylprop-2-enyl)propane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-ethyl-2-methyl-N-(2-methylprop-2-enyl)propane-1-sulfonamide?
The IUPAC name of 3-chloro-N-ethyl-2-methyl-N-(2-methylprop-2-enyl)propane-1-sulfonamide (CID 79580366) is 3-chloro-N-ethyl-2-methyl-N-(2-methylprop-2-enyl)propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-ethyl-2-methyl-N-(2-methylprop-2-enyl)propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-ethyl-2-methyl-N-(2-methylprop-2-enyl)propane-1-sulfonamide is C=C(C)CN(CC)S(=O)(=O)CC(C)CCl.
What is the InChIKey of 3-chloro-N-ethyl-2-methyl-N-(2-methylprop-2-enyl)propane-1-sulfonamide?
The InChIKey is LTFBPHYTSHYELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO2S/c1-5-12(7-9(2)3)15(13,14)8-10(4)6-11/h10H,2,5-8H2,1,3-4H3.
What are the key properties of 3-chloro-N-ethyl-2-methyl-N-(2-methylprop-2-enyl)propane-1-sulfonamide?
3-chloro-N-ethyl-2-methyl-N-(2-methylprop-2-enyl)propane-1-sulfonamide has a molecular weight of 253.79 g/mol, XLogP of 2.09, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-ethyl-2-methyl-N-(2-methylprop-2-enyl)propane-1-sulfonamide is sourced from PubChem (CID 79580366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).