5-cyano-N-(1H-indazol-3-yl)thiophene-2-sulfonamide

C12H8N4O2S2 — CID 106272595

IUPAC5-cyano-N-(1H-indazol-3-yl)thiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2n[nH]c3ccccc23)s1
InChIInChI=1S/C12H8N4O2S2/c13-7-8-5-6-11(19-8)20(17,18)16-12-9-3-1-2-4-10(9)14-15-12/h1-6H,(H2,14,15,16)
InChIKeyQECJJYCJVOYPFR-UHFFFAOYSA-N
MW304.36 g/mol
LogP2.30
Rot. Bonds3

About 5-cyano-N-(1H-indazol-3-yl)thiophene-2-sulfonamide

5-cyano-N-(1H-indazol-3-yl)thiophene-2-sulfonamide (PubChem CID 106272595) has the molecular formula C12H8N4O2S2 and a molecular weight of 304.36 g/mol. Its IUPAC name is 5-cyano-N-(1H-indazol-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-(1H-indazol-3-yl)thiophene-2-sulfonamide
PubChem CID106272595
Molecular FormulaC12H8N4O2S2
Molecular Weight304.36 g/mol
Exact Mass304.01
IUPAC Name5-cyano-N-(1H-indazol-3-yl)thiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2n[nH]c3ccccc23)s1
InChIInChI=1S/C12H8N4O2S2/c13-7-8-5-6-11(19-8)20(17,18)16-12-9-3-1-2-4-10(9)14-15-12/h1-6H,(H2,14,15,16)
InChIKeyQECJJYCJVOYPFR-UHFFFAOYSA-N
XLogP2.30
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(1H-indazol-3-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-(1H-indazol-3-yl)thiophene-2-sulfonamide (CID 106272595) is 5-cyano-N-(1H-indazol-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-(1H-indazol-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-(1H-indazol-3-yl)thiophene-2-sulfonamide is N#Cc1ccc(S(=O)(=O)Nc2n[nH]c3ccccc23)s1.
What is the InChIKey of 5-cyano-N-(1H-indazol-3-yl)thiophene-2-sulfonamide?
The InChIKey is QECJJYCJVOYPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O2S2/c13-7-8-5-6-11(19-8)20(17,18)16-12-9-3-1-2-4-10(9)14-15-12/h1-6H,(H2,14,15,16).
What are the key properties of 5-cyano-N-(1H-indazol-3-yl)thiophene-2-sulfonamide?
5-cyano-N-(1H-indazol-3-yl)thiophene-2-sulfonamide has a molecular weight of 304.36 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(1H-indazol-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 106272595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).