3-cyano-N-(1H-pyrazol-4-yl)benzenesulfonamide

C10H8N4O2S — CID 43532756

IUPAC3-cyano-N-(1H-pyrazol-4-yl)benzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)Nc2cn[nH]c2)c1
InChIInChI=1S/C10H8N4O2S/c11-5-8-2-1-3-10(4-8)17(15,16)14-9-6-12-13-7-9/h1-4,6-7,14H,(H,12,13)
InChIKeyLWQORVBOQCKBGK-UHFFFAOYSA-N
MW248.27 g/mol
LogP1.08
Rot. Bonds3

About 3-cyano-N-(1H-pyrazol-4-yl)benzenesulfonamide

3-cyano-N-(1H-pyrazol-4-yl)benzenesulfonamide (PubChem CID 43532756) has the molecular formula C10H8N4O2S and a molecular weight of 248.27 g/mol. Its IUPAC name is 3-cyano-N-(1H-pyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-(1H-pyrazol-4-yl)benzenesulfonamide
PubChem CID43532756
Molecular FormulaC10H8N4O2S
Molecular Weight248.27 g/mol
Exact Mass248.04
IUPAC Name3-cyano-N-(1H-pyrazol-4-yl)benzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)Nc2cn[nH]c2)c1
InChIInChI=1S/C10H8N4O2S/c11-5-8-2-1-3-10(4-8)17(15,16)14-9-6-12-13-7-9/h1-4,6-7,14H,(H,12,13)
InChIKeyLWQORVBOQCKBGK-UHFFFAOYSA-N
XLogP1.08
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(1H-pyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 3-cyano-N-(1H-pyrazol-4-yl)benzenesulfonamide (CID 43532756) is 3-cyano-N-(1H-pyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-(1H-pyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 3-cyano-N-(1H-pyrazol-4-yl)benzenesulfonamide is N#Cc1cccc(S(=O)(=O)Nc2cn[nH]c2)c1.
What is the InChIKey of 3-cyano-N-(1H-pyrazol-4-yl)benzenesulfonamide?
The InChIKey is LWQORVBOQCKBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O2S/c11-5-8-2-1-3-10(4-8)17(15,16)14-9-6-12-13-7-9/h1-4,6-7,14H,(H,12,13).
What are the key properties of 3-cyano-N-(1H-pyrazol-4-yl)benzenesulfonamide?
3-cyano-N-(1H-pyrazol-4-yl)benzenesulfonamide has a molecular weight of 248.27 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(1H-pyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 43532756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).