4-methoxy-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide

C16H16N4O3S2 — CID 18133357

IUPAC4-methoxy-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2Sc2nncn2C)cc1
InChIInChI=1S/C16H16N4O3S2/c1-20-11-17-18-16(20)24-15-6-4-3-5-14(15)19-25(21,22)13-9-7-12(23-2)8-10-13/h3-11,19H,1-2H3
InChIKeyDEFJUNJSAPPVJP-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.78
Rot. Bonds6

About 4-methoxy-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide

4-methoxy-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide (PubChem CID 18133357) has the molecular formula C16H16N4O3S2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-methoxy-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide
PubChem CID18133357
Molecular FormulaC16H16N4O3S2
Molecular Weight376.46 g/mol
Exact Mass376.07
IUPAC Name4-methoxy-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2Sc2nncn2C)cc1
InChIInChI=1S/C16H16N4O3S2/c1-20-11-17-18-16(20)24-15-6-4-3-5-14(15)19-25(21,22)13-9-7-12(23-2)8-10-13/h3-11,19H,1-2H3
InChIKeyDEFJUNJSAPPVJP-UHFFFAOYSA-N
XLogP2.78
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-methoxy-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]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 4-methoxy-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide (CID 18133357) is 4-methoxy-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccccc2Sc2nncn2C)cc1.
What is the InChIKey of 4-methoxy-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide?
The InChIKey is DEFJUNJSAPPVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S2/c1-20-11-17-18-16(20)24-15-6-4-3-5-14(15)19-25(21,22)13-9-7-12(23-2)8-10-13/h3-11,19H,1-2H3.
What are the key properties of 4-methoxy-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide?
4-methoxy-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide has a molecular weight of 376.46 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 18133357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).