4-chloro-N-(4-methoxy-2-methylphenyl)-2,5-dimethylbenzenesulfonamide

C16H18ClNO3S — CID 22202576

IUPAC4-chloro-N-(4-methoxy-2-methylphenyl)-2,5-dimethylbenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(C)c(Cl)cc2C)c(C)c1
InChIInChI=1S/C16H18ClNO3S/c1-10-9-16(12(3)8-14(10)17)22(19,20)18-15-6-5-13(21-4)7-11(15)2/h5-9,18H,1-4H3
InChIKeyYRINQOYEKOZNIH-UHFFFAOYSA-N
MW339.84 g/mol
LogP4.07
Rot. Bonds4

About 4-chloro-N-(4-methoxy-2-methylphenyl)-2,5-dimethylbenzenesulfonamide

4-chloro-N-(4-methoxy-2-methylphenyl)-2,5-dimethylbenzenesulfonamide (PubChem CID 22202576) has the molecular formula C16H18ClNO3S and a molecular weight of 339.84 g/mol. Its IUPAC name is 4-chloro-N-(4-methoxy-2-methylphenyl)-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(4-methoxy-2-methylphenyl)-2,5-dimethylbenzenesulfonamide
PubChem CID22202576
Molecular FormulaC16H18ClNO3S
Molecular Weight339.84 g/mol
Exact Mass339.07
IUPAC Name4-chloro-N-(4-methoxy-2-methylphenyl)-2,5-dimethylbenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(C)c(Cl)cc2C)c(C)c1
InChIInChI=1S/C16H18ClNO3S/c1-10-9-16(12(3)8-14(10)17)22(19,20)18-15-6-5-13(21-4)7-11(15)2/h5-9,18H,1-4H3
InChIKeyYRINQOYEKOZNIH-UHFFFAOYSA-N
XLogP4.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.84
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(2,4-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 3783398
N-(4-methoxy-2-methylphenyl)-2-methylbenzenesulfonamide
CID 62997670
N-(4-methoxy-2-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 22202548
N-(4-methoxy-2-methylphenyl)-2-(methylamino)benzenesulfonamide
CID 62871193
N-(4-methoxy-2-methylphenyl)methanesulfonamide
CID 15851883
N-(2,4-dimethoxyphenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113098643
N-[4-(diethylamino)-2-methylphenyl]-4-methoxy-2-methylbenzenesulfonamide
CID 113098997
2-bromo-4-fluoro-N-(4-methoxy-2-methylphenyl)benzenesulfonamide
CID 62871190
4-chloro-N-(2-ethoxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 22774232
N-(4-chloro-2-methylphenyl)-4-methoxybenzenesulfonamide
CID 4995778
4-chloro-N-[2-(difluoromethoxy)phenyl]-2,5-dimethylbenzenesulfonamide
CID 22206102
4-chloro-N-(2-ethylphenyl)-2,5-dimethylbenzenesulfonamide
CID 22773817

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-methoxy-2-methylphenyl)-2,5-dimethylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-(4-methoxy-2-methylphenyl)-2,5-dimethylbenzenesulfonamide (CID 22202576) is 4-chloro-N-(4-methoxy-2-methylphenyl)-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(4-methoxy-2-methylphenyl)-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-(4-methoxy-2-methylphenyl)-2,5-dimethylbenzenesulfonamide is COc1ccc(NS(=O)(=O)c2cc(C)c(Cl)cc2C)c(C)c1.
What is the InChIKey of 4-chloro-N-(4-methoxy-2-methylphenyl)-2,5-dimethylbenzenesulfonamide?
The InChIKey is YRINQOYEKOZNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO3S/c1-10-9-16(12(3)8-14(10)17)22(19,20)18-15-6-5-13(21-4)7-11(15)2/h5-9,18H,1-4H3.
What are the key properties of 4-chloro-N-(4-methoxy-2-methylphenyl)-2,5-dimethylbenzenesulfonamide?
4-chloro-N-(4-methoxy-2-methylphenyl)-2,5-dimethylbenzenesulfonamide has a molecular weight of 339.84 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-methoxy-2-methylphenyl)-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 22202576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).