2-cyano-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzenesulfonamide

C16H12N4O2S2 — CID 122277073

IUPAC2-cyano-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)NCc1nccnc1-c1ccsc1
InChIInChI=1S/C16H12N4O2S2/c17-9-12-3-1-2-4-15(12)24(21,22)20-10-14-16(19-7-6-18-14)13-5-8-23-11-13/h1-8,11,20H,10H2
InChIKeyJGKFAGQLABGKKI-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.56
Rot. Bonds5

About 2-cyano-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzenesulfonamide

2-cyano-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzenesulfonamide (PubChem CID 122277073) has the molecular formula C16H12N4O2S2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-cyano-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzenesulfonamide
PubChem CID122277073
Molecular FormulaC16H12N4O2S2
Molecular Weight356.43 g/mol
Exact Mass356.04
IUPAC Name2-cyano-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)NCc1nccnc1-c1ccsc1
InChIInChI=1S/C16H12N4O2S2/c17-9-12-3-1-2-4-15(12)24(21,22)20-10-14-16(19-7-6-18-14)13-5-8-23-11-13/h1-8,11,20H,10H2
InChIKeyJGKFAGQLABGKKI-UHFFFAOYSA-N
XLogP2.56
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-cyano-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzenesulfonamide (CID 122277073) is 2-cyano-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-cyano-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzenesulfonamide is N#Cc1ccccc1S(=O)(=O)NCc1nccnc1-c1ccsc1.
What is the InChIKey of 2-cyano-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzenesulfonamide?
The InChIKey is JGKFAGQLABGKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2S2/c17-9-12-3-1-2-4-15(12)24(21,22)20-10-14-16(19-7-6-18-14)13-5-8-23-11-13/h1-8,11,20H,10H2.
What are the key properties of 2-cyano-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzenesulfonamide?
2-cyano-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzenesulfonamide has a molecular weight of 356.43 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 122277073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).