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

C15H16ClNO3S — CID 40727135

IUPACN-(4-chloro-2-methylphenyl)-4-methoxy-3-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C)cc1C
InChIInChI=1S/C15H16ClNO3S/c1-10-8-12(16)4-6-14(10)17-21(18,19)13-5-7-15(20-3)11(2)9-13/h4-9,17H,1-3H3
InChIKeyYETXBEFZAJCFKW-UHFFFAOYSA-N
MW325.82 g/mol
LogP3.77
Rot. Bonds4

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

N-(4-chloro-2-methylphenyl)-4-methoxy-3-methylbenzenesulfonamide (PubChem CID 40727135) has the molecular formula C15H16ClNO3S and a molecular weight of 325.82 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-4-methoxy-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-4-methoxy-3-methylbenzenesulfonamide
PubChem CID40727135
Molecular FormulaC15H16ClNO3S
Molecular Weight325.82 g/mol
Exact Mass325.05
IUPAC NameN-(4-chloro-2-methylphenyl)-4-methoxy-3-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C)cc1C
InChIInChI=1S/C15H16ClNO3S/c1-10-8-12(16)4-6-14(10)17-21(18,19)13-5-7-15(20-3)11(2)9-13/h4-9,17H,1-3H3
InChIKeyYETXBEFZAJCFKW-UHFFFAOYSA-N
XLogP3.77
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 7354133
N-(4-chloro-2-methylphenyl)-4-methoxybenzenesulfonamide
CID 4995778
N-(2,4-difluorophenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 900628
N-(5-chloro-2-methoxyphenyl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide
CID 46417535
N-(2-fluorophenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 40727137
3-chloro-N-(5-chloro-2-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 5202468
methyl 2-[4-[(5-chloro-2-methoxyphenyl)sulfamoyl]-2-methylphenoxy]acetate
CID 2213582
5-chloro-N-(2,4-dimethylphenyl)-2-methoxybenzenesulfonamide
CID 39845488
N-(5-chloro-2-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 2697102
3-bromo-N-(4-chloro-2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 4847840
N-(4-methoxy-2-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 22202548
4-tert-butyl-N-(4-chloro-2-methylphenyl)benzenesulfonamide
CID 3644153

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-4-methoxy-3-methylbenzenesulfonamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-4-methoxy-3-methylbenzenesulfonamide (CID 40727135) is N-(4-chloro-2-methylphenyl)-4-methoxy-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-4-methoxy-3-methylbenzenesulfonamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-4-methoxy-3-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C)cc1C.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-4-methoxy-3-methylbenzenesulfonamide?
The InChIKey is YETXBEFZAJCFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3S/c1-10-8-12(16)4-6-14(10)17-21(18,19)13-5-7-15(20-3)11(2)9-13/h4-9,17H,1-3H3.
What are the key properties of N-(4-chloro-2-methylphenyl)-4-methoxy-3-methylbenzenesulfonamide?
N-(4-chloro-2-methylphenyl)-4-methoxy-3-methylbenzenesulfonamide has a molecular weight of 325.82 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-4-methoxy-3-methylbenzenesulfonamide is sourced from PubChem (CID 40727135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).