4-methoxy-3-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide

C15H17NO3S2 — CID 956499

IUPAC4-methoxy-3-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2SC)cc1C
InChIInChI=1S/C15H17NO3S2/c1-11-10-12(8-9-14(11)19-2)21(17,18)16-13-6-4-5-7-15(13)20-3/h4-10,16H,1-3H3
InChIKeyKCXDWACPJYCVBV-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.53
Rot. Bonds5

About 4-methoxy-3-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide

4-methoxy-3-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide (PubChem CID 956499) has the molecular formula C15H17NO3S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 4-methoxy-3-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide
PubChem CID956499
Molecular FormulaC15H17NO3S2
Molecular Weight323.44 g/mol
Exact Mass323.06
IUPAC Name4-methoxy-3-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2SC)cc1C
InChIInChI=1S/C15H17NO3S2/c1-11-10-12(8-9-14(11)19-2)21(17,18)16-13-6-4-5-7-15(13)20-3/h4-10,16H,1-3H3
InChIKeyKCXDWACPJYCVBV-UHFFFAOYSA-N
XLogP3.53
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-3-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide (CID 956499) is 4-methoxy-3-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-3-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccccc2SC)cc1C.
What is the InChIKey of 4-methoxy-3-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide?
The InChIKey is KCXDWACPJYCVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S2/c1-11-10-12(8-9-14(11)19-2)21(17,18)16-13-6-4-5-7-15(13)20-3/h4-10,16H,1-3H3.
What are the key properties of 4-methoxy-3-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide?
4-methoxy-3-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide has a molecular weight of 323.44 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide is sourced from PubChem (CID 956499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).