2-(4-chlorophenyl)sulfonyl-5-methyl-1,3,4-thiadiazole

C9H7ClN2O2S2 — CID 68657973

IUPAC2-(4-chlorophenyl)sulfonyl-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(S(=O)(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C9H7ClN2O2S2/c1-6-11-12-9(15-6)16(13,14)8-4-2-7(10)3-5-8/h2-5H,1H3
InChIKeyDAARZYRAWLGCJN-UHFFFAOYSA-N
MW274.75 g/mol
LogP2.33
Rot. Bonds2

About 2-(4-chlorophenyl)sulfonyl-5-methyl-1,3,4-thiadiazole

2-(4-chlorophenyl)sulfonyl-5-methyl-1,3,4-thiadiazole (PubChem CID 68657973) has the molecular formula C9H7ClN2O2S2 and a molecular weight of 274.75 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonyl-5-methyl-1,3,4-thiadiazole
PubChem CID68657973
Molecular FormulaC9H7ClN2O2S2
Molecular Weight274.75 g/mol
Exact Mass273.96
IUPAC Name2-(4-chlorophenyl)sulfonyl-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(S(=O)(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C9H7ClN2O2S2/c1-6-11-12-9(15-6)16(13,14)8-4-2-7(10)3-5-8/h2-5H,1H3
InChIKeyDAARZYRAWLGCJN-UHFFFAOYSA-N
XLogP2.33
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-Chlorophenyl)sulfonylethylsulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole
CID 2821450
2-(3-Chlorobenzene-1-sulfonyl)-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 20322873
2-(3,4-Dichlorobenzene-1-sulfonyl)-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 20322880
2-(3,5-Dichlorobenzene-1-sulfonyl)-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 20322883
2-(2,6-Dichlorophenyl)sulfonyl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 118961612
2-(4-Chlorophenyl)sulfanyl-5-(trichloromethyl)-1,3,4-thiadiazole
CID 12639709
2-(2,5-Dichlorobenzene-1-sulfonyl)-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 71384560
2-(2,4-Dichlorobenzene-1-sulfonyl)-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 71384566
2-(2,4-Dichlorobenzene-1-sulfinyl)-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 71384569
2-(4-Chlorophenyl)sulfanyl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 154139292
2-[(3-Chlorophenyl)sulfonylmethyl]-5-(difluoromethyl)-1,3,4-thiadiazole
CID 167914489
4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 749784

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfonyl-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-(4-chlorophenyl)sulfonyl-5-methyl-1,3,4-thiadiazole (CID 68657973) is 2-(4-chlorophenyl)sulfonyl-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-5-methyl-1,3,4-thiadiazole is Cc1nnc(S(=O)(=O)c2ccc(Cl)cc2)s1.
What is the InChIKey of 2-(4-chlorophenyl)sulfonyl-5-methyl-1,3,4-thiadiazole?
The InChIKey is DAARZYRAWLGCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2S2/c1-6-11-12-9(15-6)16(13,14)8-4-2-7(10)3-5-8/h2-5H,1H3.
What are the key properties of 2-(4-chlorophenyl)sulfonyl-5-methyl-1,3,4-thiadiazole?
2-(4-chlorophenyl)sulfonyl-5-methyl-1,3,4-thiadiazole has a molecular weight of 274.75 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfonyl-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 68657973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).