5-(4-methylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide

C14H13N3O2S3 — CID 139550751

IUPAC5-(4-methylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide
SMILESCc1ccc(-c2ccc(S(=O)(=O)Nc3nnc(C)s3)s2)cc1
InChIInChI=1S/C14H13N3O2S3/c1-9-3-5-11(6-4-9)12-7-8-13(21-12)22(18,19)17-14-16-15-10(2)20-14/h3-8H,1-2H3,(H,16,17)
InChIKeyAYUSNWONWBBXMO-UHFFFAOYSA-N
MW351.48 g/mol
LogP3.68
Rot. Bonds4

About 5-(4-methylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide

5-(4-methylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide (PubChem CID 139550751) has the molecular formula C14H13N3O2S3 and a molecular weight of 351.48 g/mol. Its IUPAC name is 5-(4-methylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(4-methylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide
PubChem CID139550751
Molecular FormulaC14H13N3O2S3
Molecular Weight351.48 g/mol
Exact Mass351.02
IUPAC Name5-(4-methylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide
SMILESCc1ccc(-c2ccc(S(=O)(=O)Nc3nnc(C)s3)s2)cc1
InChIInChI=1S/C14H13N3O2S3/c1-9-3-5-11(6-4-9)12-7-8-13(21-12)22(18,19)17-14-16-15-10(2)20-14/h3-8H,1-2H3,(H,16,17)
InChIKeyAYUSNWONWBBXMO-UHFFFAOYSA-N
XLogP3.68
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(4-methylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide 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 5-(4-methylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-(4-methylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide (CID 139550751) is 5-(4-methylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(4-methylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(4-methylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide is Cc1ccc(-c2ccc(S(=O)(=O)Nc3nnc(C)s3)s2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide?
The InChIKey is AYUSNWONWBBXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S3/c1-9-3-5-11(6-4-9)12-7-8-13(21-12)22(18,19)17-14-16-15-10(2)20-14/h3-8H,1-2H3,(H,16,17).
What are the key properties of 5-(4-methylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide?
5-(4-methylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide has a molecular weight of 351.48 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 139550751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).