N-(2-chloro-6-methylphenyl)-4-methylsulfonylbutanamide

C12H16ClNO3S — CID 71973311

IUPACN-(2-chloro-6-methylphenyl)-4-methylsulfonylbutanamide
SMILESCc1cccc(Cl)c1NC(=O)CCCS(C)(=O)=O
InChIInChI=1S/C12H16ClNO3S/c1-9-5-3-6-10(13)12(9)14-11(15)7-4-8-18(2,16)17/h3,5-6H,4,7-8H2,1-2H3,(H,14,15)
InChIKeyHHYYLQNITNQJEX-UHFFFAOYSA-N
MW289.78 g/mol
LogP2.41
Rot. Bonds5

About N-(2-chloro-6-methylphenyl)-4-methylsulfonylbutanamide

N-(2-chloro-6-methylphenyl)-4-methylsulfonylbutanamide (PubChem CID 71973311) has the molecular formula C12H16ClNO3S and a molecular weight of 289.78 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-4-methylsulfonylbutanamide.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-4-methylsulfonylbutanamide
PubChem CID71973311
Molecular FormulaC12H16ClNO3S
Molecular Weight289.78 g/mol
Exact Mass289.05
IUPAC NameN-(2-chloro-6-methylphenyl)-4-methylsulfonylbutanamide
SMILESCc1cccc(Cl)c1NC(=O)CCCS(C)(=O)=O
InChIInChI=1S/C12H16ClNO3S/c1-9-5-3-6-10(13)12(9)14-11(15)7-4-8-18(2,16)17/h3,5-6H,4,7-8H2,1-2H3,(H,14,15)
InChIKeyHHYYLQNITNQJEX-UHFFFAOYSA-N
XLogP2.41
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.78
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-chloro-6-methylphenyl)-4-methylsulfonylbutanamide 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

N,N'-bis(2,6-dichlorophenyl)pentanediamide
CID 1291740
N-(2-chloro-6-methylphenyl)-4-pyrrolidin-1-ylbutanamide;hydrochloride
CID 24836116
3-(2,6-dichloroanilino)-N-(2,6-dimethylphenyl)propanamide
CID 109035835
2-(4-aminophenyl)-N-(2-chloro-6-methylphenyl)acetamide
CID 66253342
N,N'-bis(2,6-dichlorophenyl)butanediamide
CID 1010966
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-methylsulfonylpropanamide
CID 134034709
[2-(2-chloro-6-methylanilino)-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-dimethylazanium
CID 20801
N-(2-chloro-6-methylphenyl)-2-[di(propan-2-yl)amino]acetamide;hydrochloride
CID 138402190
N-(2,6-dichlorophenyl)decanamide
CID 3269237
N-(2,6-dichlorophenyl)-2-(propylsulfonylamino)acetamide
CID 113001455
2-(azetidin-3-yl)-N-(2-chloro-6-methylphenyl)acetamide
CID 66254744
N-(2-chlorophenyl)-3-methylsulfonylpropanamide
CID 47160250

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-4-methylsulfonylbutanamide?
The IUPAC name of N-(2-chloro-6-methylphenyl)-4-methylsulfonylbutanamide (CID 71973311) is N-(2-chloro-6-methylphenyl)-4-methylsulfonylbutanamide.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-4-methylsulfonylbutanamide?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-4-methylsulfonylbutanamide is Cc1cccc(Cl)c1NC(=O)CCCS(C)(=O)=O.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-4-methylsulfonylbutanamide?
The InChIKey is HHYYLQNITNQJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3S/c1-9-5-3-6-10(13)12(9)14-11(15)7-4-8-18(2,16)17/h3,5-6H,4,7-8H2,1-2H3,(H,14,15).
What are the key properties of N-(2-chloro-6-methylphenyl)-4-methylsulfonylbutanamide?
N-(2-chloro-6-methylphenyl)-4-methylsulfonylbutanamide has a molecular weight of 289.78 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-4-methylsulfonylbutanamide is sourced from PubChem (CID 71973311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).