1-chloro-N-(2-chloro-5-methylphenyl)methanesulfonamide

C8H9Cl2NO2S — CID 107629601

IUPAC1-chloro-N-(2-chloro-5-methylphenyl)methanesulfonamide
SMILESCc1ccc(Cl)c(NS(=O)(=O)CCl)c1
InChIInChI=1S/C8H9Cl2NO2S/c1-6-2-3-7(10)8(4-6)11-14(12,13)5-9/h2-4,11H,5H2,1H3
InChIKeyRABZAPGIAGVNNW-UHFFFAOYSA-N
MW254.14 g/mol
LogP2.59
Rot. Bonds3

About 1-chloro-N-(2-chloro-5-methylphenyl)methanesulfonamide

1-chloro-N-(2-chloro-5-methylphenyl)methanesulfonamide (PubChem CID 107629601) has the molecular formula C8H9Cl2NO2S and a molecular weight of 254.14 g/mol. Its IUPAC name is 1-chloro-N-(2-chloro-5-methylphenyl)methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-(2-chloro-5-methylphenyl)methanesulfonamide
PubChem CID107629601
Molecular FormulaC8H9Cl2NO2S
Molecular Weight254.14 g/mol
Exact Mass252.97
IUPAC Name1-chloro-N-(2-chloro-5-methylphenyl)methanesulfonamide
SMILESCc1ccc(Cl)c(NS(=O)(=O)CCl)c1
InChIInChI=1S/C8H9Cl2NO2S/c1-6-2-3-7(10)8(4-6)11-14(12,13)5-9/h2-4,11H,5H2,1H3
InChIKeyRABZAPGIAGVNNW-UHFFFAOYSA-N
XLogP2.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.14
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-chloro-N-(2-chloro-5-methylphenyl)methanesulfonamide 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-(2-chloro-5-methylphenyl)-2-methylpropane-1-sulfonamide
CID 107629605
N-(2-chloro-5-methylphenyl)-1-cyanomethanesulfonamide
CID 107625962
1-chloro-N-(2-chloro-5-ethylsulfonylphenyl)methanesulfonamide
CID 124927749
1-chloro-4-methyl-2-(sulfamoylamino)benzene
CID 107638348
4-chloro-3-(chloromethylsulfonylamino)benzenesulfonamide
CID 63666623
N-(2,5-dimethylphenyl)ethanesulfonamide
CID 902936
2-amino-N-(2-chloro-5-methylphenyl)-3,6-dimethylbenzenesulfonamide
CID 107624506
N-(2-chloro-5-fluorophenyl)ethanesulfonamide
CID 107531524
1-chloro-N-(3-chloro-4-methylphenyl)methanesulfonamide
CID 63665096
3-amino-N-(2-chloro-5-methylphenyl)-4-fluoro-5-methylbenzenesulfonamide
CID 107624529
4-amino-2,6-dibromo-N-(2-chloro-5-methylphenyl)benzenesulfonamide
CID 107624523
4-chloro-3-(ethylsulfonylamino)benzenesulfonamide
CID 61132365

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-(2-chloro-5-methylphenyl)methanesulfonamide?
The IUPAC name of 1-chloro-N-(2-chloro-5-methylphenyl)methanesulfonamide (CID 107629601) is 1-chloro-N-(2-chloro-5-methylphenyl)methanesulfonamide.
What is the SMILES notation for 1-chloro-N-(2-chloro-5-methylphenyl)methanesulfonamide?
The canonical SMILES for 1-chloro-N-(2-chloro-5-methylphenyl)methanesulfonamide is Cc1ccc(Cl)c(NS(=O)(=O)CCl)c1.
What is the InChIKey of 1-chloro-N-(2-chloro-5-methylphenyl)methanesulfonamide?
The InChIKey is RABZAPGIAGVNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2NO2S/c1-6-2-3-7(10)8(4-6)11-14(12,13)5-9/h2-4,11H,5H2,1H3.
What are the key properties of 1-chloro-N-(2-chloro-5-methylphenyl)methanesulfonamide?
1-chloro-N-(2-chloro-5-methylphenyl)methanesulfonamide has a molecular weight of 254.14 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-(2-chloro-5-methylphenyl)methanesulfonamide is sourced from PubChem (CID 107629601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).