N-chloro-1-(3-chlorophenyl)methanesulfonamide

C7H7Cl2NO2S — CID 133063629

IUPACN-chloro-1-(3-chlorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1cccc(Cl)c1)NCl
InChIInChI=1S/C7H7Cl2NO2S/c8-7-3-1-2-6(4-7)5-13(11,12)10-9/h1-4,10H,5H2
InChIKeySRNXOZNZFDZHFU-UHFFFAOYSA-N
MW240.11 g/mol
LogP1.91
Rot. Bonds3

About N-chloro-1-(3-chlorophenyl)methanesulfonamide

N-chloro-1-(3-chlorophenyl)methanesulfonamide (PubChem CID 133063629) has the molecular formula C7H7Cl2NO2S and a molecular weight of 240.11 g/mol. Its IUPAC name is N-chloro-1-(3-chlorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-chloro-1-(3-chlorophenyl)methanesulfonamide
PubChem CID133063629
Molecular FormulaC7H7Cl2NO2S
Molecular Weight240.11 g/mol
Exact Mass238.96
IUPAC NameN-chloro-1-(3-chlorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1cccc(Cl)c1)NCl
InChIInChI=1S/C7H7Cl2NO2S/c8-7-3-1-2-6(4-7)5-13(11,12)10-9/h1-4,10H,5H2
InChIKeySRNXOZNZFDZHFU-UHFFFAOYSA-N
XLogP1.91
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.11
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-chloro-1-(3-chlorophenyl)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-chlorophenyl)methanesulfonyl chloride
CID 2757802
1-(3-chlorophenyl)-N-[(1R)-1-phenylpropyl]methanesulfonamide
CID 92685740
1-(3-chlorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]methanesulfonamide
CID 92671846
1-(3-chlorophenyl)-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]methanesulfonamide
CID 95984177
1-(3-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide
CID 122557133
N-(2-amino-1,2-diphenylethyl)-1-(3-chlorophenyl)methanesulfonamide
CID 59537632
4-[(3-chlorophenyl)methylsulfonylmethyl]benzonitrile
CID 47162176
1-(3-chlorophenyl)-N-(2-methoxypyrimidin-5-yl)methanesulfonamide
CID 122301719
N-(6-chloro-4-oxo-1H-pyridazin-3-yl)-1-(3-chlorophenyl)methanesulfonamide
CID 86580562
1-(3-chlorophenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)methanesulfonamide
CID 90497384
1-(3-chlorophenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]methanesulfonamide
CID 16890660
2-[(3-chlorophenyl)methylsulfonyl]-N-methylacetamide
CID 47162178

Frequently Asked Questions

What is the IUPAC name of N-chloro-1-(3-chlorophenyl)methanesulfonamide?
The IUPAC name of N-chloro-1-(3-chlorophenyl)methanesulfonamide (CID 133063629) is N-chloro-1-(3-chlorophenyl)methanesulfonamide.
What is the SMILES notation for N-chloro-1-(3-chlorophenyl)methanesulfonamide?
The canonical SMILES for N-chloro-1-(3-chlorophenyl)methanesulfonamide is O=S(=O)(Cc1cccc(Cl)c1)NCl.
What is the InChIKey of N-chloro-1-(3-chlorophenyl)methanesulfonamide?
The InChIKey is SRNXOZNZFDZHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2NO2S/c8-7-3-1-2-6(4-7)5-13(11,12)10-9/h1-4,10H,5H2.
What are the key properties of N-chloro-1-(3-chlorophenyl)methanesulfonamide?
N-chloro-1-(3-chlorophenyl)methanesulfonamide has a molecular weight of 240.11 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-1-(3-chlorophenyl)methanesulfonamide is sourced from PubChem (CID 133063629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).