3-chloro-2-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]propane-1-sulfonamide

C13H20ClNO2S — CID 107858599

IUPAC3-chloro-2-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]propane-1-sulfonamide
SMILESCc1cccc([C@@H](C)NS(=O)(=O)CC(C)CCl)c1
InChIInChI=1S/C13H20ClNO2S/c1-10-5-4-6-13(7-10)12(3)15-18(16,17)9-11(2)8-14/h4-7,11-12,15H,8-9H2,1-3H3/t11?,12-/m1/s1
InChIKeyMTTKMGNCTBHYTM-PIJUOVFKSA-N
MW289.83 g/mol
LogP2.85
Rot. Bonds6

About 3-chloro-2-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]propane-1-sulfonamide

3-chloro-2-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]propane-1-sulfonamide (PubChem CID 107858599) has the molecular formula C13H20ClNO2S and a molecular weight of 289.83 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]propane-1-sulfonamide
PubChem CID107858599
Molecular FormulaC13H20ClNO2S
Molecular Weight289.83 g/mol
Exact Mass289.09
IUPAC Name3-chloro-2-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]propane-1-sulfonamide
SMILESCc1cccc([C@@H](C)NS(=O)(=O)CC(C)CCl)c1
InChIInChI=1S/C13H20ClNO2S/c1-10-5-4-6-13(7-10)12(3)15-18(16,17)9-11(2)8-14/h4-7,11-12,15H,8-9H2,1-3H3/t11?,12-/m1/s1
InChIKeyMTTKMGNCTBHYTM-PIJUOVFKSA-N
XLogP2.85
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.83
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-chloro-2-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]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

Related Compounds

3-chloro-N-[(1S)-1-(3-fluorophenyl)ethyl]-2-methylpropane-1-sulfonamide
CID 107858748
3-chloro-N-[(1R)-1-(3-methylphenyl)ethyl]propane-1-sulfonamide
CID 107858598
N-[(1S)-1-(3-methylphenyl)ethyl]methanesulfonamide
CID 81360320
1-ethylsulfonyl-N-[(1R)-1-(3-methylphenyl)ethyl]propan-2-amine
CID 104867052
3-chloro-2-methyl-N-(3-methyl-1-phenylbutyl)propane-1-sulfonamide
CID 79586380
3-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-2-methylpropane-1-sulfonamide
CID 107863620
1-(3-methylphenyl)-N-[(1S)-1-phenylethyl]methanesulfonamide
CID 27210154
3-chloro-2-methyl-N-(1-pyridin-2-ylethyl)propane-1-sulfonamide
CID 79580360
N-[(1R)-1-(3-bromophenyl)ethyl]-1-chloromethanesulfonamide
CID 107858585
1-chloro-N-[1-(3-fluorophenyl)ethyl]methanesulfonamide
CID 63666225
1-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]methanesulfonamide
CID 107858740
N-[(1R)-1-(3-bromophenyl)ethyl]-2-chloroethanesulfonamide
CID 107858584

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]propane-1-sulfonamide?
The IUPAC name of 3-chloro-2-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]propane-1-sulfonamide (CID 107858599) is 3-chloro-2-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-2-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]propane-1-sulfonamide?
The canonical SMILES for 3-chloro-2-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]propane-1-sulfonamide is Cc1cccc([C@@H](C)NS(=O)(=O)CC(C)CCl)c1.
What is the InChIKey of 3-chloro-2-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]propane-1-sulfonamide?
The InChIKey is MTTKMGNCTBHYTM-PIJUOVFKSA-N. The full InChI is InChI=1S/C13H20ClNO2S/c1-10-5-4-6-13(7-10)12(3)15-18(16,17)9-11(2)8-14/h4-7,11-12,15H,8-9H2,1-3H3/t11?,12-/m1/s1.
What are the key properties of 3-chloro-2-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]propane-1-sulfonamide?
3-chloro-2-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]propane-1-sulfonamide has a molecular weight of 289.83 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]propane-1-sulfonamide is sourced from PubChem (CID 107858599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).