N-(4-chloro-2,6-dimethylphenyl)-4-methoxybenzenesulfonamide

C15H16ClNO3S — CID 118707083

IUPACN-(4-chloro-2,6-dimethylphenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2c(C)cc(Cl)cc2C)cc1
InChIInChI=1S/C15H16ClNO3S/c1-10-8-12(16)9-11(2)15(10)17-21(18,19)14-6-4-13(20-3)5-7-14/h4-9,17H,1-3H3
InChIKeyNQRHYCHKCJXYEJ-UHFFFAOYSA-N
MW325.82 g/mol
LogP3.77
Rot. Bonds4

About N-(4-chloro-2,6-dimethylphenyl)-4-methoxybenzenesulfonamide

N-(4-chloro-2,6-dimethylphenyl)-4-methoxybenzenesulfonamide (PubChem CID 118707083) has the molecular formula C15H16ClNO3S and a molecular weight of 325.82 g/mol. Its IUPAC name is N-(4-chloro-2,6-dimethylphenyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2,6-dimethylphenyl)-4-methoxybenzenesulfonamide
PubChem CID118707083
Molecular FormulaC15H16ClNO3S
Molecular Weight325.82 g/mol
Exact Mass325.05
IUPAC NameN-(4-chloro-2,6-dimethylphenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2c(C)cc(Cl)cc2C)cc1
InChIInChI=1S/C15H16ClNO3S/c1-10-8-12(16)9-11(2)15(10)17-21(18,19)14-6-4-13(20-3)5-7-14/h4-9,17H,1-3H3
InChIKeyNQRHYCHKCJXYEJ-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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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,6-dimethylphenyl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(4-chloro-2,6-dimethylphenyl)-4-methoxybenzenesulfonamide (CID 118707083) is N-(4-chloro-2,6-dimethylphenyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(4-chloro-2,6-dimethylphenyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(4-chloro-2,6-dimethylphenyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2c(C)cc(Cl)cc2C)cc1.
What is the InChIKey of N-(4-chloro-2,6-dimethylphenyl)-4-methoxybenzenesulfonamide?
The InChIKey is NQRHYCHKCJXYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3S/c1-10-8-12(16)9-11(2)15(10)17-21(18,19)14-6-4-13(20-3)5-7-14/h4-9,17H,1-3H3.
What are the key properties of N-(4-chloro-2,6-dimethylphenyl)-4-methoxybenzenesulfonamide?
N-(4-chloro-2,6-dimethylphenyl)-4-methoxybenzenesulfonamide 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-2,6-dimethylphenyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 118707083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).