5-(3-chloro-4-methylthiophen-2-yl)-4-methyl-1,2,4-triazole-3-sulfonamide

C8H9ClN4O2S2 — CID 103407328

IUPAC5-(3-chloro-4-methylthiophen-2-yl)-4-methyl-1,2,4-triazole-3-sulfonamide
SMILESCc1csc(-c2nnc(S(N)(=O)=O)n2C)c1Cl
InChIInChI=1S/C8H9ClN4O2S2/c1-4-3-16-6(5(4)9)7-11-12-8(13(7)2)17(10,14)15/h3H,1-2H3,(H2,10,14,15)
InChIKeyWOTOCDFUKPADJX-UHFFFAOYSA-N
MW292.77 g/mol
LogP1.15
Rot. Bonds2

About 5-(3-chloro-4-methylthiophen-2-yl)-4-methyl-1,2,4-triazole-3-sulfonamide

5-(3-chloro-4-methylthiophen-2-yl)-4-methyl-1,2,4-triazole-3-sulfonamide (PubChem CID 103407328) has the molecular formula C8H9ClN4O2S2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 5-(3-chloro-4-methylthiophen-2-yl)-4-methyl-1,2,4-triazole-3-sulfonamide.

Molecular Properties

Compound Name5-(3-chloro-4-methylthiophen-2-yl)-4-methyl-1,2,4-triazole-3-sulfonamide
PubChem CID103407328
Molecular FormulaC8H9ClN4O2S2
Molecular Weight292.77 g/mol
Exact Mass291.99
IUPAC Name5-(3-chloro-4-methylthiophen-2-yl)-4-methyl-1,2,4-triazole-3-sulfonamide
SMILESCc1csc(-c2nnc(S(N)(=O)=O)n2C)c1Cl
InChIInChI=1S/C8H9ClN4O2S2/c1-4-3-16-6(5(4)9)7-11-12-8(13(7)2)17(10,14)15/h3H,1-2H3,(H2,10,14,15)
InChIKeyWOTOCDFUKPADJX-UHFFFAOYSA-N
XLogP1.15
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-methylthiophen-2-yl)-4-methyl-1,2,4-triazole-3-sulfonamide?
The IUPAC name of 5-(3-chloro-4-methylthiophen-2-yl)-4-methyl-1,2,4-triazole-3-sulfonamide (CID 103407328) is 5-(3-chloro-4-methylthiophen-2-yl)-4-methyl-1,2,4-triazole-3-sulfonamide.
What is the SMILES notation for 5-(3-chloro-4-methylthiophen-2-yl)-4-methyl-1,2,4-triazole-3-sulfonamide?
The canonical SMILES for 5-(3-chloro-4-methylthiophen-2-yl)-4-methyl-1,2,4-triazole-3-sulfonamide is Cc1csc(-c2nnc(S(N)(=O)=O)n2C)c1Cl.
What is the InChIKey of 5-(3-chloro-4-methylthiophen-2-yl)-4-methyl-1,2,4-triazole-3-sulfonamide?
The InChIKey is WOTOCDFUKPADJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4O2S2/c1-4-3-16-6(5(4)9)7-11-12-8(13(7)2)17(10,14)15/h3H,1-2H3,(H2,10,14,15).
What are the key properties of 5-(3-chloro-4-methylthiophen-2-yl)-4-methyl-1,2,4-triazole-3-sulfonamide?
5-(3-chloro-4-methylthiophen-2-yl)-4-methyl-1,2,4-triazole-3-sulfonamide has a molecular weight of 292.77 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-methylthiophen-2-yl)-4-methyl-1,2,4-triazole-3-sulfonamide is sourced from PubChem (CID 103407328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).