2-methoxy-5-methyl-N-(3-methylsulfanylphenyl)benzenesulfonamide

C15H17NO3S2 — CID 974558

IUPAC2-methoxy-5-methyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1cccc(SC)c1
InChIInChI=1S/C15H17NO3S2/c1-11-7-8-14(19-2)15(9-11)21(17,18)16-12-5-4-6-13(10-12)20-3/h4-10,16H,1-3H3
InChIKeyKFOURRBBMBDVGP-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.53
Rot. Bonds5

About 2-methoxy-5-methyl-N-(3-methylsulfanylphenyl)benzenesulfonamide

2-methoxy-5-methyl-N-(3-methylsulfanylphenyl)benzenesulfonamide (PubChem CID 974558) has the molecular formula C15H17NO3S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-methoxy-5-methyl-N-(3-methylsulfanylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-methyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
PubChem CID974558
Molecular FormulaC15H17NO3S2
Molecular Weight323.44 g/mol
Exact Mass323.06
IUPAC Name2-methoxy-5-methyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1cccc(SC)c1
InChIInChI=1S/C15H17NO3S2/c1-11-7-8-14(19-2)15(9-11)21(17,18)16-12-5-4-6-13(10-12)20-3/h4-10,16H,1-3H3
InChIKeyKFOURRBBMBDVGP-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

Analyze 2-methoxy-5-methyl-N-(3-methylsulfanylphenyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-N-(3-methylsulfanylphenyl)benzenesulfonamide?
The IUPAC name of 2-methoxy-5-methyl-N-(3-methylsulfanylphenyl)benzenesulfonamide (CID 974558) is 2-methoxy-5-methyl-N-(3-methylsulfanylphenyl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-methyl-N-(3-methylsulfanylphenyl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-5-methyl-N-(3-methylsulfanylphenyl)benzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)Nc1cccc(SC)c1.
What is the InChIKey of 2-methoxy-5-methyl-N-(3-methylsulfanylphenyl)benzenesulfonamide?
The InChIKey is KFOURRBBMBDVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S2/c1-11-7-8-14(19-2)15(9-11)21(17,18)16-12-5-4-6-13(10-12)20-3/h4-10,16H,1-3H3.
What are the key properties of 2-methoxy-5-methyl-N-(3-methylsulfanylphenyl)benzenesulfonamide?
2-methoxy-5-methyl-N-(3-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 2-methoxy-5-methyl-N-(3-methylsulfanylphenyl)benzenesulfonamide is sourced from PubChem (CID 974558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).