4-chloro-N-methyl-N-(2-methylphenyl)benzenesulfonamide

C14H14ClNO2S — CID 872441

IUPAC4-chloro-N-methyl-N-(2-methylphenyl)benzenesulfonamide
SMILESCc1ccccc1N(C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClNO2S/c1-11-5-3-4-6-14(11)16(2)19(17,18)13-9-7-12(15)8-10-13/h3-10H,1-2H3
InChIKeyWZJLTZGBHVFWQZ-UHFFFAOYSA-N
MW295.79 g/mol
LogP3.47
Rot. Bonds3

About 4-chloro-N-methyl-N-(2-methylphenyl)benzenesulfonamide

4-chloro-N-methyl-N-(2-methylphenyl)benzenesulfonamide (PubChem CID 872441) has the molecular formula C14H14ClNO2S and a molecular weight of 295.79 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-(2-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-methyl-N-(2-methylphenyl)benzenesulfonamide
PubChem CID872441
Molecular FormulaC14H14ClNO2S
Molecular Weight295.79 g/mol
Exact Mass295.04
IUPAC Name4-chloro-N-methyl-N-(2-methylphenyl)benzenesulfonamide
SMILESCc1ccccc1N(C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClNO2S/c1-11-5-3-4-6-14(11)16(2)19(17,18)13-9-7-12(15)8-10-13/h3-10H,1-2H3
InChIKeyWZJLTZGBHVFWQZ-UHFFFAOYSA-N
XLogP3.47
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,4-Dimethyl-N-phenylbenzenesulfonamide
CID 220023
1-(4-Chlorophenyl)sulfonyl-2,3-dihydroindole
CID 710426
1-(4-Chloro-benzenesulfonyl)-1,2,3,4-tetrahydro-quinoline
CID 2843275
4-chloro-N-(2,5-dimethylphenyl)benzenesulfonamide
CID 295192
4-Chloro-4'-ethylbenzenesulfonanilide
CID 710437
N-[(4-chlorophenyl)sulfonyl]-N-(3-methylphenyl)acetamide
CID 872481
N-[(4-chlorophenyl)sulfonyl]-N-(2-methylphenyl)acetamide
CID 872494
4-chloro-N-ethyl-N-phenylbenzenesulfonamide
CID 668790
N-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]benzenesulfonamide
CID 71584050
4-chloro-N-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]benzenesulfonamide
CID 71584156
4-chloro-N-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)benzenesulfonamide
CID 71584279
N-(5-chloro-2-methylphenyl)benzenesulfonamide
CID 246655

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-N-(2-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-methyl-N-(2-methylphenyl)benzenesulfonamide (CID 872441) is 4-chloro-N-methyl-N-(2-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-methyl-N-(2-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-methyl-N-(2-methylphenyl)benzenesulfonamide is Cc1ccccc1N(C)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-methyl-N-(2-methylphenyl)benzenesulfonamide?
The InChIKey is WZJLTZGBHVFWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2S/c1-11-5-3-4-6-14(11)16(2)19(17,18)13-9-7-12(15)8-10-13/h3-10H,1-2H3.
What are the key properties of 4-chloro-N-methyl-N-(2-methylphenyl)benzenesulfonamide?
4-chloro-N-methyl-N-(2-methylphenyl)benzenesulfonamide has a molecular weight of 295.79 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-N-(2-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 872441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).