5-[1-(4-methylphenyl)triazol-4-yl]thiophene-2-sulfonamide

C13H12N4O2S2 — CID 71770791

IUPAC5-[1-(4-methylphenyl)triazol-4-yl]thiophene-2-sulfonamide
SMILESCc1ccc(-n2cc(-c3ccc(S(N)(=O)=O)s3)nn2)cc1
InChIInChI=1S/C13H12N4O2S2/c1-9-2-4-10(5-3-9)17-8-11(15-16-17)12-6-7-13(20-12)21(14,18)19/h2-8H,1H3,(H2,14,18,19)
InChIKeySEKFZZJSHYKIBE-UHFFFAOYSA-N
MW320.40 g/mol
LogP1.95
Rot. Bonds3

About 5-[1-(4-methylphenyl)triazol-4-yl]thiophene-2-sulfonamide

5-[1-(4-methylphenyl)triazol-4-yl]thiophene-2-sulfonamide (PubChem CID 71770791) has the molecular formula C13H12N4O2S2 and a molecular weight of 320.40 g/mol. Its IUPAC name is 5-[1-(4-methylphenyl)triazol-4-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[1-(4-methylphenyl)triazol-4-yl]thiophene-2-sulfonamide
PubChem CID71770791
Molecular FormulaC13H12N4O2S2
Molecular Weight320.40 g/mol
Exact Mass320.04
IUPAC Name5-[1-(4-methylphenyl)triazol-4-yl]thiophene-2-sulfonamide
SMILESCc1ccc(-n2cc(-c3ccc(S(N)(=O)=O)s3)nn2)cc1
InChIInChI=1S/C13H12N4O2S2/c1-9-2-4-10(5-3-9)17-8-11(15-16-17)12-6-7-13(20-12)21(14,18)19/h2-8H,1H3,(H2,14,18,19)
InChIKeySEKFZZJSHYKIBE-UHFFFAOYSA-N
XLogP1.95
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-methylphenyl)triazol-4-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-[1-(4-methylphenyl)triazol-4-yl]thiophene-2-sulfonamide (CID 71770791) is 5-[1-(4-methylphenyl)triazol-4-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-[1-(4-methylphenyl)triazol-4-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-[1-(4-methylphenyl)triazol-4-yl]thiophene-2-sulfonamide is Cc1ccc(-n2cc(-c3ccc(S(N)(=O)=O)s3)nn2)cc1.
What is the InChIKey of 5-[1-(4-methylphenyl)triazol-4-yl]thiophene-2-sulfonamide?
The InChIKey is SEKFZZJSHYKIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S2/c1-9-2-4-10(5-3-9)17-8-11(15-16-17)12-6-7-13(20-12)21(14,18)19/h2-8H,1H3,(H2,14,18,19).
What are the key properties of 5-[1-(4-methylphenyl)triazol-4-yl]thiophene-2-sulfonamide?
5-[1-(4-methylphenyl)triazol-4-yl]thiophene-2-sulfonamide has a molecular weight of 320.40 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-methylphenyl)triazol-4-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 71770791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).