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

C14H15NO3S — CID 796476

IUPAC4-methoxy-N-(2-methylphenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C14H15NO3S/c1-11-5-3-4-6-14(11)15-19(16,17)13-9-7-12(18-2)8-10-13/h3-10,15H,1-2H3
InChIKeyGRHJWSCCVQIJAK-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.80
Rot. Bonds4

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

4-methoxy-N-(2-methylphenyl)benzenesulfonamide (PubChem CID 796476) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is 4-methoxy-N-(2-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(2-methylphenyl)benzenesulfonamide
PubChem CID796476
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC Name4-methoxy-N-(2-methylphenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C14H15NO3S/c1-11-5-3-4-6-14(11)15-19(16,17)13-9-7-12(18-2)8-10-13/h3-10,15H,1-2H3
InChIKeyGRHJWSCCVQIJAK-UHFFFAOYSA-N
XLogP2.80
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-(2-methylphenyl)benzenesulfonamide (CID 796476) is 4-methoxy-N-(2-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(2-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(2-methylphenyl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccccc2C)cc1.
What is the InChIKey of 4-methoxy-N-(2-methylphenyl)benzenesulfonamide?
The InChIKey is GRHJWSCCVQIJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-11-5-3-4-6-14(11)15-19(16,17)13-9-7-12(18-2)8-10-13/h3-10,15H,1-2H3.
What are the key properties of 4-methoxy-N-(2-methylphenyl)benzenesulfonamide?
4-methoxy-N-(2-methylphenyl)benzenesulfonamide has a molecular weight of 277.35 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 796476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).