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

C13H10ClN3O2S3 — CID 21081314

IUPAC3-chloro-2-methyl-N-(3-thiophen-3-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1nc(-c2ccsc2)ns1
InChIInChI=1S/C13H10ClN3O2S3/c1-8-10(14)3-2-4-11(8)22(18,19)17-13-15-12(16-21-13)9-5-6-20-7-9/h2-7H,1H3,(H,15,16,17)
InChIKeyRDKYJHUSDRNDDL-UHFFFAOYSA-N
MW371.90 g/mol
LogP4.03
Rot. Bonds4

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

3-chloro-2-methyl-N-(3-thiophen-3-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide (PubChem CID 21081314) 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-3-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-(3-thiophen-3-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide
PubChem CID21081314
Molecular FormulaC13H10ClN3O2S3
Molecular Weight371.90 g/mol
Exact Mass370.96
IUPAC Name3-chloro-2-methyl-N-(3-thiophen-3-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1nc(-c2ccsc2)ns1
InChIInChI=1S/C13H10ClN3O2S3/c1-8-10(14)3-2-4-11(8)22(18,19)17-13-15-12(16-21-13)9-5-6-20-7-9/h2-7H,1H3,(H,15,16,17)
InChIKeyRDKYJHUSDRNDDL-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

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Related Compounds

3-chloro-2-methyl-N-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 21081312
3-chloro-N-(3-methoxy-1,2,4-thiadiazol-5-yl)-2-methylbenzenesulfonamide
CID 21081335
3-chloro-2-methyl-N-[3-[2-(3-oxomorpholin-4-yl)ethyl]-1,2,4-thiadiazol-5-yl]benzenesulfonamide
CID 22028052
3-chloro-N-[4-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
CID 87757253
3-chloro-2-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 21110297
3-chloro-N-[3-[(1R)-1-(3-fluorophenoxy)ethyl]-1,2,4-thiadiazol-5-yl]-2-methylbenzenesulfonamide
CID 69430429
2-chloro-N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 118077526
N-[4-(2-bromoethyl)-1,3-thiazol-2-yl]-3-chloro-2-methylbenzenesulfonamide
CID 11292384
3-chloro-N-[2-hydroxy-2-(4-thiophen-3-ylphenyl)ethyl]-2-methylbenzenesulfonamide
CID 122244303
3-chloro-2-methyl-N-[4-[2-(methylamino)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide
CID 87546782
3-chloro-N-[4-(2-methoxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
CID 87546416
3-chloro-N-[4-(1-hydroxycyclopropyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
CID 11537498

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-(3-thiophen-3-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-chloro-2-methyl-N-(3-thiophen-3-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide (CID 21081314) is 3-chloro-2-methyl-N-(3-thiophen-3-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-2-methyl-N-(3-thiophen-3-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-chloro-2-methyl-N-(3-thiophen-3-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)Nc1nc(-c2ccsc2)ns1.
What is the InChIKey of 3-chloro-2-methyl-N-(3-thiophen-3-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The InChIKey is RDKYJHUSDRNDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O2S3/c1-8-10(14)3-2-4-11(8)22(18,19)17-13-15-12(16-21-13)9-5-6-20-7-9/h2-7H,1H3,(H,15,16,17).
What are the key properties of 3-chloro-2-methyl-N-(3-thiophen-3-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide?
3-chloro-2-methyl-N-(3-thiophen-3-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-3-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 21081314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).