5-[1-(3-cyanophenyl)triazol-4-yl]thiophene-2-sulfonamide

C13H9N5O2S2 — CID 71770916

IUPAC5-[1-(3-cyanophenyl)triazol-4-yl]thiophene-2-sulfonamide
SMILESN#Cc1cccc(-n2cc(-c3ccc(S(N)(=O)=O)s3)nn2)c1
InChIInChI=1S/C13H9N5O2S2/c14-7-9-2-1-3-10(6-9)18-8-11(16-17-18)12-4-5-13(21-12)22(15,19)20/h1-6,8H,(H2,15,19,20)
InChIKeySUOSUWXLPRQCMG-UHFFFAOYSA-N
MW331.38 g/mol
LogP1.51
Rot. Bonds3

About 5-[1-(3-cyanophenyl)triazol-4-yl]thiophene-2-sulfonamide

5-[1-(3-cyanophenyl)triazol-4-yl]thiophene-2-sulfonamide (PubChem CID 71770916) has the molecular formula C13H9N5O2S2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 5-[1-(3-cyanophenyl)triazol-4-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[1-(3-cyanophenyl)triazol-4-yl]thiophene-2-sulfonamide
PubChem CID71770916
Molecular FormulaC13H9N5O2S2
Molecular Weight331.38 g/mol
Exact Mass331.02
IUPAC Name5-[1-(3-cyanophenyl)triazol-4-yl]thiophene-2-sulfonamide
SMILESN#Cc1cccc(-n2cc(-c3ccc(S(N)(=O)=O)s3)nn2)c1
InChIInChI=1S/C13H9N5O2S2/c14-7-9-2-1-3-10(6-9)18-8-11(16-17-18)12-4-5-13(21-12)22(15,19)20/h1-6,8H,(H2,15,19,20)
InChIKeySUOSUWXLPRQCMG-UHFFFAOYSA-N
XLogP1.51
TPSA114.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-cyanophenyl)triazol-4-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-[1-(3-cyanophenyl)triazol-4-yl]thiophene-2-sulfonamide (CID 71770916) is 5-[1-(3-cyanophenyl)triazol-4-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-[1-(3-cyanophenyl)triazol-4-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-[1-(3-cyanophenyl)triazol-4-yl]thiophene-2-sulfonamide is N#Cc1cccc(-n2cc(-c3ccc(S(N)(=O)=O)s3)nn2)c1.
What is the InChIKey of 5-[1-(3-cyanophenyl)triazol-4-yl]thiophene-2-sulfonamide?
The InChIKey is SUOSUWXLPRQCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5O2S2/c14-7-9-2-1-3-10(6-9)18-8-11(16-17-18)12-4-5-13(21-12)22(15,19)20/h1-6,8H,(H2,15,19,20).
What are the key properties of 5-[1-(3-cyanophenyl)triazol-4-yl]thiophene-2-sulfonamide?
5-[1-(3-cyanophenyl)triazol-4-yl]thiophene-2-sulfonamide has a molecular weight of 331.38 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-cyanophenyl)triazol-4-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 71770916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).