3-chloro-N-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-methylbenzenesulfonamide

C11H12ClN3O2S2 — CID 21081332

IUPAC3-chloro-N-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-methylbenzenesulfonamide
SMILESCCc1nsc(NS(=O)(=O)c2cccc(Cl)c2C)n1
InChIInChI=1S/C11H12ClN3O2S2/c1-3-10-13-11(18-14-10)15-19(16,17)9-6-4-5-8(12)7(9)2/h4-6H,3H2,1-2H3,(H,13,14,15)
InChIKeyADBHURNZZNQVME-UHFFFAOYSA-N
MW317.82 g/mol
LogP2.86
Rot. Bonds4

About 3-chloro-N-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-methylbenzenesulfonamide

3-chloro-N-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-methylbenzenesulfonamide (PubChem CID 21081332) has the molecular formula C11H12ClN3O2S2 and a molecular weight of 317.82 g/mol. Its IUPAC name is 3-chloro-N-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-methylbenzenesulfonamide
PubChem CID21081332
Molecular FormulaC11H12ClN3O2S2
Molecular Weight317.82 g/mol
Exact Mass317.01
IUPAC Name3-chloro-N-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-methylbenzenesulfonamide
SMILESCCc1nsc(NS(=O)(=O)c2cccc(Cl)c2C)n1
InChIInChI=1S/C11H12ClN3O2S2/c1-3-10-13-11(18-14-10)15-19(16,17)9-6-4-5-8(12)7(9)2/h4-6H,3H2,1-2H3,(H,13,14,15)
InChIKeyADBHURNZZNQVME-UHFFFAOYSA-N
XLogP2.86
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(R)-3-chloro-N-(3-{2-[(3-fluorophenyl)thio]propyl}-1,2,4-thiadiazol-5-yl)-2-methylbenzenesulfonamide
CID 16119014
3-chloro-N-[3-[(2,4-difluorophenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-yl]-2-methylbenzenesulfonamide
CID 16119019
3-chloro-N-[3-[(1R)-1-(3-fluorophenyl)sulfanylethyl]-1,2,4-thiadiazol-5-yl]-2-methylbenzenesulfonamide
CID 16119020
3-chloro-N-[3-[(3,4-difluorophenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-yl]-2-methylbenzenesulfonamide
CID 16119061
N-(3-ethyl-1,2,4-thiadiazol-5-yl)-5-fluoro-2-methylbenzenesulfonamide
CID 16119468
3-chloro-5-fluoro-2-methyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 16119611
3-chloro-4-fluoro-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 21081326
3-chloro-N-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-yl]-2-methylbenzenesulfonamide
CID 21081328
5-fluoro-2-methyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 21081365
N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 21081382
3-chloro-2-methyl-N-[3-[1-[3-(trifluoromethyl)phenyl]sulfanylethyl]-1,2,4-thiadiazol-5-yl]benzenesulfonamide
CID 21081414
3-chloro-N-[3-[1-(3-fluorophenyl)sulfanylethyl]-1,2,4-thiadiazol-5-yl]-2-methylbenzenesulfonamide
CID 21081429

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-methylbenzenesulfonamide (CID 21081332) is 3-chloro-N-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-methylbenzenesulfonamide is CCc1nsc(NS(=O)(=O)c2cccc(Cl)c2C)n1.
What is the InChIKey of 3-chloro-N-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-methylbenzenesulfonamide?
The InChIKey is ADBHURNZZNQVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2S2/c1-3-10-13-11(18-14-10)15-19(16,17)9-6-4-5-8(12)7(9)2/h4-6H,3H2,1-2H3,(H,13,14,15).
What are the key properties of 3-chloro-N-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-methylbenzenesulfonamide?
3-chloro-N-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-methylbenzenesulfonamide has a molecular weight of 317.82 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 21081332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).