3-(5-cyano-3-pyridinyl)-2-(tetrazolidin-5-yl)benzenesulfonamide

C13H13N7O2S — CID 134823543

IUPAC3-(5-cyano-3-pyridinyl)-2-(tetrazolidin-5-yl)benzenesulfonamide
SMILESN#Cc1cncc(-c2cccc(S(N)(=O)=O)c2C2NNNN2)c1
InChIInChI=1S/C13H13N7O2S/c14-5-8-4-9(7-16-6-8)10-2-1-3-11(23(15,21)22)12(10)13-17-19-20-18-13/h1-4,6-7,13,17-20H,(H2,15,21,22)
InChIKeyKLVTXZLWUUAWQS-UHFFFAOYSA-N
MW331.36 g/mol
LogP-0.62
Rot. Bonds3

About 3-(5-cyano-3-pyridinyl)-2-(tetrazolidin-5-yl)benzenesulfonamide

3-(5-cyano-3-pyridinyl)-2-(tetrazolidin-5-yl)benzenesulfonamide (PubChem CID 134823543) has the molecular formula C13H13N7O2S and a molecular weight of 331.36 g/mol. Its IUPAC name is 3-(5-cyano-3-pyridinyl)-2-(tetrazolidin-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(5-cyano-3-pyridinyl)-2-(tetrazolidin-5-yl)benzenesulfonamide
PubChem CID134823543
Molecular FormulaC13H13N7O2S
Molecular Weight331.36 g/mol
Exact Mass331.09
IUPAC Name3-(5-cyano-3-pyridinyl)-2-(tetrazolidin-5-yl)benzenesulfonamide
SMILESN#Cc1cncc(-c2cccc(S(N)(=O)=O)c2C2NNNN2)c1
InChIInChI=1S/C13H13N7O2S/c14-5-8-4-9(7-16-6-8)10-2-1-3-11(23(15,21)22)12(10)13-17-19-20-18-13/h1-4,6-7,13,17-20H,(H2,15,21,22)
InChIKeyKLVTXZLWUUAWQS-UHFFFAOYSA-N
XLogP-0.62
TPSA144.96 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 5-0.62
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyano-3-pyridinyl)-2-(tetrazolidin-5-yl)benzenesulfonamide?
The IUPAC name of 3-(5-cyano-3-pyridinyl)-2-(tetrazolidin-5-yl)benzenesulfonamide (CID 134823543) is 3-(5-cyano-3-pyridinyl)-2-(tetrazolidin-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-(5-cyano-3-pyridinyl)-2-(tetrazolidin-5-yl)benzenesulfonamide?
The canonical SMILES for 3-(5-cyano-3-pyridinyl)-2-(tetrazolidin-5-yl)benzenesulfonamide is N#Cc1cncc(-c2cccc(S(N)(=O)=O)c2C2NNNN2)c1.
What is the InChIKey of 3-(5-cyano-3-pyridinyl)-2-(tetrazolidin-5-yl)benzenesulfonamide?
The InChIKey is KLVTXZLWUUAWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N7O2S/c14-5-8-4-9(7-16-6-8)10-2-1-3-11(23(15,21)22)12(10)13-17-19-20-18-13/h1-4,6-7,13,17-20H,(H2,15,21,22).
What are the key properties of 3-(5-cyano-3-pyridinyl)-2-(tetrazolidin-5-yl)benzenesulfonamide?
3-(5-cyano-3-pyridinyl)-2-(tetrazolidin-5-yl)benzenesulfonamide has a molecular weight of 331.36 g/mol, XLogP of -0.62, 3 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyano-3-pyridinyl)-2-(tetrazolidin-5-yl)benzenesulfonamide is sourced from PubChem (CID 134823543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).