3-chloro-N-[(3,4-difluorophenyl)methyl]-N-methylpropane-1-sulfonamide

C11H14ClF2NO2S — CID 54877367

IUPAC3-chloro-N-[(3,4-difluorophenyl)methyl]-N-methylpropane-1-sulfonamide
SMILESCN(Cc1ccc(F)c(F)c1)S(=O)(=O)CCCCl
InChIInChI=1S/C11H14ClF2NO2S/c1-15(18(16,17)6-2-5-12)8-9-3-4-10(13)11(14)7-9/h3-4,7H,2,5-6,8H2,1H3
InChIKeyLLVNDUZMEBSQHO-UHFFFAOYSA-N
MW297.75 g/mol
LogP2.36
Rot. Bonds6

About 3-chloro-N-[(3,4-difluorophenyl)methyl]-N-methylpropane-1-sulfonamide

3-chloro-N-[(3,4-difluorophenyl)methyl]-N-methylpropane-1-sulfonamide (PubChem CID 54877367) has the molecular formula C11H14ClF2NO2S and a molecular weight of 297.75 g/mol. Its IUPAC name is 3-chloro-N-[(3,4-difluorophenyl)methyl]-N-methylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-[(3,4-difluorophenyl)methyl]-N-methylpropane-1-sulfonamide
PubChem CID54877367
Molecular FormulaC11H14ClF2NO2S
Molecular Weight297.75 g/mol
Exact Mass297.04
IUPAC Name3-chloro-N-[(3,4-difluorophenyl)methyl]-N-methylpropane-1-sulfonamide
SMILESCN(Cc1ccc(F)c(F)c1)S(=O)(=O)CCCCl
InChIInChI=1S/C11H14ClF2NO2S/c1-15(18(16,17)6-2-5-12)8-9-3-4-10(13)11(14)7-9/h3-4,7H,2,5-6,8H2,1H3
InChIKeyLLVNDUZMEBSQHO-UHFFFAOYSA-N
XLogP2.36
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-chloro-N-[(3,4-difluorophenyl)methyl]-N-methylpropane-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

Related Compounds

3-chloro-N-[(3,4-difluorophenyl)methyl]-N-ethylpropane-1-sulfonamide
CID 54877329
4-chloro-N-[(3,4-difluorophenyl)methyl]-N-ethylbutane-1-sulfonamide
CID 116815368
3-chloro-N-methyl-N-(pyridin-4-ylmethyl)propane-1-sulfonamide
CID 43653893
2,6-dichloro-N-[(3,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 24679077
3-chloro-N-methyl-N-[(2-methylphenyl)methyl]propane-1-sulfonamide
CID 43653867
2,5-dichloro-N-[(3,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 24679062
4-chloro-N-[(3-cyanophenyl)methyl]-N-methylbutane-1-sulfonamide
CID 116815295
4-[(4-chlorophenyl)methyl-methylsulfamoyl]butanoic acid
CID 43362117
4-chloro-N-(furan-3-ylmethyl)-N-methylbutane-1-sulfonamide
CID 116816025
2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylethanesulfonamide
CID 107650846
2-chloro-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide
CID 60948624
N-[(3,4-difluorophenyl)methyl]-N-methyl-1H-pyrazole-5-sulfonamide
CID 102692091

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(3,4-difluorophenyl)methyl]-N-methylpropane-1-sulfonamide?
The IUPAC name of 3-chloro-N-[(3,4-difluorophenyl)methyl]-N-methylpropane-1-sulfonamide (CID 54877367) is 3-chloro-N-[(3,4-difluorophenyl)methyl]-N-methylpropane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-[(3,4-difluorophenyl)methyl]-N-methylpropane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-[(3,4-difluorophenyl)methyl]-N-methylpropane-1-sulfonamide is CN(Cc1ccc(F)c(F)c1)S(=O)(=O)CCCCl.
What is the InChIKey of 3-chloro-N-[(3,4-difluorophenyl)methyl]-N-methylpropane-1-sulfonamide?
The InChIKey is LLVNDUZMEBSQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF2NO2S/c1-15(18(16,17)6-2-5-12)8-9-3-4-10(13)11(14)7-9/h3-4,7H,2,5-6,8H2,1H3.
What are the key properties of 3-chloro-N-[(3,4-difluorophenyl)methyl]-N-methylpropane-1-sulfonamide?
3-chloro-N-[(3,4-difluorophenyl)methyl]-N-methylpropane-1-sulfonamide has a molecular weight of 297.75 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(3,4-difluorophenyl)methyl]-N-methylpropane-1-sulfonamide is sourced from PubChem (CID 54877367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).