3-[(4-chlorophenyl)sulfonylmethyl]-5-methyl-1H-1,2,4-triazole

C10H10ClN3O2S — CID 23228255

IUPAC3-[(4-chlorophenyl)sulfonylmethyl]-5-methyl-1H-1,2,4-triazole
SMILESCc1nc(CS(=O)(=O)c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C10H10ClN3O2S/c1-7-12-10(14-13-7)6-17(15,16)9-4-2-8(11)3-5-9/h2-5H,6H2,1H3,(H,12,13,14)
InChIKeyWUUWNGREUBCHJQ-UHFFFAOYSA-N
MW271.73 g/mol
LogP1.74
Rot. Bonds3

About 3-[(4-chlorophenyl)sulfonylmethyl]-5-methyl-1H-1,2,4-triazole

3-[(4-chlorophenyl)sulfonylmethyl]-5-methyl-1H-1,2,4-triazole (PubChem CID 23228255) has the molecular formula C10H10ClN3O2S and a molecular weight of 271.73 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)sulfonylmethyl]-5-methyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-[(4-chlorophenyl)sulfonylmethyl]-5-methyl-1H-1,2,4-triazole
PubChem CID23228255
Molecular FormulaC10H10ClN3O2S
Molecular Weight271.73 g/mol
Exact Mass271.02
IUPAC Name3-[(4-chlorophenyl)sulfonylmethyl]-5-methyl-1H-1,2,4-triazole
SMILESCc1nc(CS(=O)(=O)c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C10H10ClN3O2S/c1-7-12-10(14-13-7)6-17(15,16)9-4-2-8(11)3-5-9/h2-5H,6H2,1H3,(H,12,13,14)
InChIKeyWUUWNGREUBCHJQ-UHFFFAOYSA-N
XLogP1.74
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.73
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-chlorophenyl)disulfanyl]-5-methyl-1H-1,2,4-triazole
CID 66561921
3-[2-(4-Chlorophenyl)sulfonylethylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine
CID 37137078
4-chloro-2-fluoro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CID 64511327
2-chloro-4-fluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide
CID 79028873
3-chloro-2-fluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide
CID 81585989
3-chloro-4-fluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide
CID 81586075
4-chloro-2-fluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide
CID 81586077
5-[(3-chloro-4-fluorophenyl)sulfonylmethyl]-3-ethyl-1H-1,2,4-triazole
CID 86798763
2-chloro-5-fluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide
CID 105400445
3-[(2,5-difluorophenyl)sulfinylmethyl]-5-methyl-1H-1,2,4-triazole
CID 154805171
3-(benzenesulfonylmethyl)-5-methyl-1H-1,2,4-triazole
CID 18681564
3-benzenesulfonylmethyl-5-methylsulfanyl-1H-[1,2,4]triazole
CID 70105758

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)sulfonylmethyl]-5-methyl-1H-1,2,4-triazole?
The IUPAC name of 3-[(4-chlorophenyl)sulfonylmethyl]-5-methyl-1H-1,2,4-triazole (CID 23228255) is 3-[(4-chlorophenyl)sulfonylmethyl]-5-methyl-1H-1,2,4-triazole.
What is the SMILES notation for 3-[(4-chlorophenyl)sulfonylmethyl]-5-methyl-1H-1,2,4-triazole?
The canonical SMILES for 3-[(4-chlorophenyl)sulfonylmethyl]-5-methyl-1H-1,2,4-triazole is Cc1nc(CS(=O)(=O)c2ccc(Cl)cc2)n[nH]1.
What is the InChIKey of 3-[(4-chlorophenyl)sulfonylmethyl]-5-methyl-1H-1,2,4-triazole?
The InChIKey is WUUWNGREUBCHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2S/c1-7-12-10(14-13-7)6-17(15,16)9-4-2-8(11)3-5-9/h2-5H,6H2,1H3,(H,12,13,14).
What are the key properties of 3-[(4-chlorophenyl)sulfonylmethyl]-5-methyl-1H-1,2,4-triazole?
3-[(4-chlorophenyl)sulfonylmethyl]-5-methyl-1H-1,2,4-triazole has a molecular weight of 271.73 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)sulfonylmethyl]-5-methyl-1H-1,2,4-triazole is sourced from PubChem (CID 23228255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).