4-chloro-3-methoxy-N-(2-methylphenyl)benzenesulfonamide

C14H14ClNO3S — CID 1259343

IUPAC4-chloro-3-methoxy-N-(2-methylphenyl)benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)Nc2ccccc2C)ccc1Cl
InChIInChI=1S/C14H14ClNO3S/c1-10-5-3-4-6-13(10)16-20(17,18)11-7-8-12(15)14(9-11)19-2/h3-9,16H,1-2H3
InChIKeyJXYMQTKBKLOYDK-UHFFFAOYSA-N
MW311.79 g/mol
LogP3.46
Rot. Bonds4

About 4-chloro-3-methoxy-N-(2-methylphenyl)benzenesulfonamide

4-chloro-3-methoxy-N-(2-methylphenyl)benzenesulfonamide (PubChem CID 1259343) has the molecular formula C14H14ClNO3S and a molecular weight of 311.79 g/mol. Its IUPAC name is 4-chloro-3-methoxy-N-(2-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-3-methoxy-N-(2-methylphenyl)benzenesulfonamide
PubChem CID1259343
Molecular FormulaC14H14ClNO3S
Molecular Weight311.79 g/mol
Exact Mass311.04
IUPAC Name4-chloro-3-methoxy-N-(2-methylphenyl)benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)Nc2ccccc2C)ccc1Cl
InChIInChI=1S/C14H14ClNO3S/c1-10-5-3-4-6-13(10)16-20(17,18)11-7-8-12(15)14(9-11)19-2/h3-9,16H,1-2H3
InChIKeyJXYMQTKBKLOYDK-UHFFFAOYSA-N
XLogP3.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Chloro-2'-methoxybenzenesulfonanilide
CID 310128
4-methoxy-N-(2-methylphenyl)benzenesulfonamide
CID 796476
4-chloro-3-ethoxy-N-(2-ethylphenyl)benzenesulfonamide
CID 935496
N-(3-chlorophenyl)-2-methoxy-5-methylbenzenesulfonamide
CID 967894
4-chloro-N-mesityl-3-methoxybenzenesulfonamide
CID 977153
3-chloro-N-(3,4-difluorophenyl)-4-methoxybenzenesulfonamide
CID 2227762
N-(4-chloro-2,6-dimethylphenyl)-4-methoxybenzenesulfonamide
CID 118707083
N-[2-(4-chlorophenyl)phenyl]-4-methoxybenzenesulfonamide
CID 122184506
N-[2-(3-chlorophenyl)phenyl]-4-methoxybenzenesulfonamide
CID 122184513
N-[2-(3-chloro-4-fluorophenyl)phenyl]-4-methoxybenzenesulfonamide
CID 122184517
4-chloro-3-ethoxy-N-(4-ethylphenyl)benzenesulfonamide
CID 850111
4-chloro-N-(3,5-dimethylphenyl)-3-ethoxybenzenesulfonamide
CID 850112

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methoxy-N-(2-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-chloro-3-methoxy-N-(2-methylphenyl)benzenesulfonamide (CID 1259343) is 4-chloro-3-methoxy-N-(2-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-3-methoxy-N-(2-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-3-methoxy-N-(2-methylphenyl)benzenesulfonamide is COc1cc(S(=O)(=O)Nc2ccccc2C)ccc1Cl.
What is the InChIKey of 4-chloro-3-methoxy-N-(2-methylphenyl)benzenesulfonamide?
The InChIKey is JXYMQTKBKLOYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3S/c1-10-5-3-4-6-13(10)16-20(17,18)11-7-8-12(15)14(9-11)19-2/h3-9,16H,1-2H3.
What are the key properties of 4-chloro-3-methoxy-N-(2-methylphenyl)benzenesulfonamide?
4-chloro-3-methoxy-N-(2-methylphenyl)benzenesulfonamide has a molecular weight of 311.79 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methoxy-N-(2-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 1259343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).