4-cyano-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide

C15H16N4O3S — CID 71810315

IUPAC4-cyano-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2cnn(C3CCOCC3)c2)cc1
InChIInChI=1S/C15H16N4O3S/c16-9-12-1-3-15(4-2-12)23(20,21)18-13-10-17-19(11-13)14-5-7-22-8-6-14/h1-4,10-11,14,18H,5-8H2
InChIKeyJLECABPZMHPSTH-UHFFFAOYSA-N
MW332.39 g/mol
LogP1.91
Rot. Bonds4

About 4-cyano-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide

4-cyano-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide (PubChem CID 71810315) has the molecular formula C15H16N4O3S and a molecular weight of 332.39 g/mol. Its IUPAC name is 4-cyano-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide
PubChem CID71810315
Molecular FormulaC15H16N4O3S
Molecular Weight332.39 g/mol
Exact Mass332.09
IUPAC Name4-cyano-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2cnn(C3CCOCC3)c2)cc1
InChIInChI=1S/C15H16N4O3S/c16-9-12-1-3-15(4-2-12)23(20,21)18-13-10-17-19(11-13)14-5-7-22-8-6-14/h1-4,10-11,14,18H,5-8H2
InChIKeyJLECABPZMHPSTH-UHFFFAOYSA-N
XLogP1.91
TPSA97.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide?
The IUPAC name of 4-cyano-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide (CID 71810315) is 4-cyano-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide?
The canonical SMILES for 4-cyano-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide is N#Cc1ccc(S(=O)(=O)Nc2cnn(C3CCOCC3)c2)cc1.
What is the InChIKey of 4-cyano-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide?
The InChIKey is JLECABPZMHPSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3S/c16-9-12-1-3-15(4-2-12)23(20,21)18-13-10-17-19(11-13)14-5-7-22-8-6-14/h1-4,10-11,14,18H,5-8H2.
What are the key properties of 4-cyano-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide?
4-cyano-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide has a molecular weight of 332.39 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 71810315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).