3-chloro-2-methyl-N-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide

C13H10ClN3O2S3 — CID 21081312

IUPAC3-chloro-2-methyl-N-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1nc(-c2cccs2)ns1
InChIInChI=1S/C13H10ClN3O2S3/c1-8-9(14)4-2-6-11(8)22(18,19)17-13-15-12(16-21-13)10-5-3-7-20-10/h2-7H,1H3,(H,15,16,17)
InChIKeyVWGYMDCPKNQOAM-UHFFFAOYSA-N
MW371.90 g/mol
LogP4.03
Rot. Bonds4

About 3-chloro-2-methyl-N-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide

3-chloro-2-methyl-N-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide (PubChem CID 21081312) has the molecular formula C13H10ClN3O2S3 and a molecular weight of 371.90 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide
PubChem CID21081312
Molecular FormulaC13H10ClN3O2S3
Molecular Weight371.90 g/mol
Exact Mass370.96
IUPAC Name3-chloro-2-methyl-N-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1nc(-c2cccs2)ns1
InChIInChI=1S/C13H10ClN3O2S3/c1-8-9(14)4-2-6-11(8)22(18,19)17-13-15-12(16-21-13)10-5-3-7-20-10/h2-7H,1H3,(H,15,16,17)
InChIKeyVWGYMDCPKNQOAM-UHFFFAOYSA-N
XLogP4.03
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.90
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-chloro-2-methyl-N-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)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 3-chloro-2-methyl-N-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-chloro-2-methyl-N-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide (CID 21081312) is 3-chloro-2-methyl-N-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-2-methyl-N-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-chloro-2-methyl-N-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)Nc1nc(-c2cccs2)ns1.
What is the InChIKey of 3-chloro-2-methyl-N-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The InChIKey is VWGYMDCPKNQOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O2S3/c1-8-9(14)4-2-6-11(8)22(18,19)17-13-15-12(16-21-13)10-5-3-7-20-10/h2-7H,1H3,(H,15,16,17).
What are the key properties of 3-chloro-2-methyl-N-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide?
3-chloro-2-methyl-N-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide has a molecular weight of 371.90 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 21081312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).