2-chloro-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide

C14H13Cl2NO2S — CID 7937774

IUPAC2-chloro-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide
SMILESCN(Cc1ccccc1Cl)S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C14H13Cl2NO2S/c1-17(10-11-6-2-3-7-12(11)15)20(18,19)14-9-5-4-8-13(14)16/h2-9H,10H2,1H3
InChIKeyDJDRLEPJXCSYFK-UHFFFAOYSA-N
MW330.24 g/mol
LogP3.81
Rot. Bonds4

About 2-chloro-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide

2-chloro-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide (PubChem CID 7937774) has the molecular formula C14H13Cl2NO2S and a molecular weight of 330.24 g/mol. Its IUPAC name is 2-chloro-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide
PubChem CID7937774
Molecular FormulaC14H13Cl2NO2S
Molecular Weight330.24 g/mol
Exact Mass329.00
IUPAC Name2-chloro-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide
SMILESCN(Cc1ccccc1Cl)S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C14H13Cl2NO2S/c1-17(10-11-6-2-3-7-12(11)15)20(18,19)14-9-5-4-8-13(14)16/h2-9H,10H2,1H3
InChIKeyDJDRLEPJXCSYFK-UHFFFAOYSA-N
XLogP3.81
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-4-chloro-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 61105926
5-amino-N-[(2-chlorophenyl)methyl]-N,2-dimethylbenzenesulfonamide
CID 61105357
N-[(2-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide
CID 7510019
2-chloro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 60962314
2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 7937794
4-(bromomethyl)-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 65482585
2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 79387781
N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-N-methylbenzenesulfonamide
CID 30173939
3-amino-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 61105167
3-chloro-N-[(2-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide
CID 37497114
N-[(2-chlorophenyl)methyl]-2,3,5,6-tetrafluoro-4-methoxy-N-methylbenzenesulfonamide
CID 18191880
5,6-dichloro-N-[(2-chlorophenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 64608949

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide?
The IUPAC name of 2-chloro-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide (CID 7937774) is 2-chloro-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 2-chloro-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide is CN(Cc1ccccc1Cl)S(=O)(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide?
The InChIKey is DJDRLEPJXCSYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO2S/c1-17(10-11-6-2-3-7-12(11)15)20(18,19)14-9-5-4-8-13(14)16/h2-9H,10H2,1H3.
What are the key properties of 2-chloro-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide?
2-chloro-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide has a molecular weight of 330.24 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 7937774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).