4-cyano-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]benzenesulfonamide

C16H13N5O2S — CID 90285799

IUPAC4-cyano-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]benzenesulfonamide
SMILESCc1ccnc(-n2nccc2NS(=O)(=O)c2ccc(C#N)cc2)c1
InChIInChI=1S/C16H13N5O2S/c1-12-6-8-18-16(10-12)21-15(7-9-19-21)20-24(22,23)14-4-2-13(11-17)3-5-14/h2-10,20H,1H3
InChIKeyPDLYMYGATFSPBD-UHFFFAOYSA-N
MW339.38 g/mol
LogP2.25
Rot. Bonds4

About 4-cyano-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]benzenesulfonamide

4-cyano-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]benzenesulfonamide (PubChem CID 90285799) has the molecular formula C16H13N5O2S and a molecular weight of 339.38 g/mol. Its IUPAC name is 4-cyano-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]benzenesulfonamide
PubChem CID90285799
Molecular FormulaC16H13N5O2S
Molecular Weight339.38 g/mol
Exact Mass339.08
IUPAC Name4-cyano-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]benzenesulfonamide
SMILESCc1ccnc(-n2nccc2NS(=O)(=O)c2ccc(C#N)cc2)c1
InChIInChI=1S/C16H13N5O2S/c1-12-6-8-18-16(10-12)21-15(7-9-19-21)20-24(22,23)14-4-2-13(11-17)3-5-14/h2-10,20H,1H3
InChIKeyPDLYMYGATFSPBD-UHFFFAOYSA-N
XLogP2.25
TPSA100.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 10245060
CID 10245060
CID 447297
CID 447297
CID 76685194
CID 76685194
CID 9508066
CID 9508066
CID 20914793
CID 20914793
CID 10112226
CID 10112226
CID 11013215
CID 11013215
CID 44406358
CID 44406358
CID 44621440
CID 44621440
CID 44621442
CID 44621442
CID 44621447
CID 44621447
CID 44621456
CID 44621456

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]benzenesulfonamide?
The IUPAC name of 4-cyano-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]benzenesulfonamide (CID 90285799) is 4-cyano-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for 4-cyano-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]benzenesulfonamide is Cc1ccnc(-n2nccc2NS(=O)(=O)c2ccc(C#N)cc2)c1.
What is the InChIKey of 4-cyano-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]benzenesulfonamide?
The InChIKey is PDLYMYGATFSPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O2S/c1-12-6-8-18-16(10-12)21-15(7-9-19-21)20-24(22,23)14-4-2-13(11-17)3-5-14/h2-10,20H,1H3.
What are the key properties of 4-cyano-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]benzenesulfonamide?
4-cyano-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]benzenesulfonamide has a molecular weight of 339.38 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 90285799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).