2-chloro-5-(4-methylphenyl)sulfonyl-1,3,4-thiadiazole

C9H7ClN2O2S2 — CID 10492601

IUPAC2-chloro-5-(4-methylphenyl)sulfonyl-1,3,4-thiadiazole
SMILESCc1ccc(S(=O)(=O)c2nnc(Cl)s2)cc1
InChIInChI=1S/C9H7ClN2O2S2/c1-6-2-4-7(5-3-6)16(13,14)9-12-11-8(10)15-9/h2-5H,1H3
InChIKeyJNUHKHTVKGVQLN-UHFFFAOYSA-N
MW274.75 g/mol
LogP2.33
Rot. Bonds2

About 2-chloro-5-(4-methylphenyl)sulfonyl-1,3,4-thiadiazole

2-chloro-5-(4-methylphenyl)sulfonyl-1,3,4-thiadiazole (PubChem CID 10492601) has the molecular formula C9H7ClN2O2S2 and a molecular weight of 274.75 g/mol. Its IUPAC name is 2-chloro-5-(4-methylphenyl)sulfonyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-chloro-5-(4-methylphenyl)sulfonyl-1,3,4-thiadiazole
PubChem CID10492601
Molecular FormulaC9H7ClN2O2S2
Molecular Weight274.75 g/mol
Exact Mass273.96
IUPAC Name2-chloro-5-(4-methylphenyl)sulfonyl-1,3,4-thiadiazole
SMILESCc1ccc(S(=O)(=O)c2nnc(Cl)s2)cc1
InChIInChI=1S/C9H7ClN2O2S2/c1-6-2-4-7(5-3-6)16(13,14)9-12-11-8(10)15-9/h2-5H,1H3
InChIKeyJNUHKHTVKGVQLN-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

Bis(P-toluenesulfonyl)diazomethane
CID 11024549
2-(Benzenesulfonyl)-5-benzylsulfanyl-1,3,4-thiadiazole
CID 10593873
2-Benzylsulfonyl-5-chloro-1,3,4-thiadiazole
CID 10612415
2-(4-Methylphenyl)sulfonyl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 22084327
2-(Benzenesulfonyl)-5-benzylsulfonyl-1,3,4-thiadiazole
CID 10571825
2-Benzylsulfanyl-5-[4-(chloromethyl)phenyl]sulfonyl-1,3,4-thiadiazole
CID 139221927
2-Benzylsulfonyl-5-[4-(chloromethyl)phenyl]sulfonyl-1,3,4-thiadiazole
CID 139221928
2-Benzylsulfonyl-5-(4-methylphenyl)sulfonyl-1,3,4-thiadiazole
CID 10548680
5-(4-Methylphenyl)sulfonyl-1,3,4-thiadiazol-2-amine
CID 10634769
2,5-Bis[(4-methylphenyl)sulfonylsulfanyl]-1,3,4-thiadiazole
CID 18731428
1-[Benzenesulfonyl(diazo)methyl]sulfonyl-4-methylbenzene
CID 22950733
Methyl-[(4-methylphenyl)sulfonyl-methylsulfonylmethyl]diazene
CID 141735758

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(4-methylphenyl)sulfonyl-1,3,4-thiadiazole?
The IUPAC name of 2-chloro-5-(4-methylphenyl)sulfonyl-1,3,4-thiadiazole (CID 10492601) is 2-chloro-5-(4-methylphenyl)sulfonyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-chloro-5-(4-methylphenyl)sulfonyl-1,3,4-thiadiazole?
The canonical SMILES for 2-chloro-5-(4-methylphenyl)sulfonyl-1,3,4-thiadiazole is Cc1ccc(S(=O)(=O)c2nnc(Cl)s2)cc1.
What is the InChIKey of 2-chloro-5-(4-methylphenyl)sulfonyl-1,3,4-thiadiazole?
The InChIKey is JNUHKHTVKGVQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2S2/c1-6-2-4-7(5-3-6)16(13,14)9-12-11-8(10)15-9/h2-5H,1H3.
What are the key properties of 2-chloro-5-(4-methylphenyl)sulfonyl-1,3,4-thiadiazole?
2-chloro-5-(4-methylphenyl)sulfonyl-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-chloro-5-(4-methylphenyl)sulfonyl-1,3,4-thiadiazole is sourced from PubChem (CID 10492601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).