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

C15H17NO3S — CID 825631

IUPACN-(2,6-dimethylphenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1
InChIInChI=1S/C15H17NO3S/c1-11-5-4-6-12(2)15(11)16-20(17,18)14-9-7-13(19-3)8-10-14/h4-10,16H,1-3H3
InChIKeyPVSAEICOWQRZLY-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.11
Rot. Bonds4

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

N-(2,6-dimethylphenyl)-4-methoxybenzenesulfonamide (PubChem CID 825631) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-4-methoxybenzenesulfonamide
PubChem CID825631
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC NameN-(2,6-dimethylphenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1
InChIInChI=1S/C15H17NO3S/c1-11-5-4-6-12(2)15(11)16-20(17,18)14-9-7-13(19-3)8-10-14/h4-10,16H,1-3H3
InChIKeyPVSAEICOWQRZLY-UHFFFAOYSA-N
XLogP3.11
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(2,6-dimethylphenyl)-4-methoxybenzenesulfonamide (CID 825631) is N-(2,6-dimethylphenyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-4-methoxybenzenesulfonamide?
The InChIKey is PVSAEICOWQRZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-11-5-4-6-12(2)15(11)16-20(17,18)14-9-7-13(19-3)8-10-14/h4-10,16H,1-3H3.
What are the key properties of N-(2,6-dimethylphenyl)-4-methoxybenzenesulfonamide?
N-(2,6-dimethylphenyl)-4-methoxybenzenesulfonamide has a molecular weight of 291.37 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 825631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).