4-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide

C16H15N3O2S — CID 127025293

IUPAC4-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2ccc(Cn3cccn3)cc2)cc1
InChIInChI=1S/C16H15N3O2S/c17-22(20,21)16-8-6-15(7-9-16)14-4-2-13(3-5-14)12-19-11-1-10-18-19/h1-11H,12H2,(H2,17,20,21)
InChIKeyISHVKZQPCLEIEP-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.25
Rot. Bonds4

About 4-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide

4-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide (PubChem CID 127025293) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 4-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
PubChem CID127025293
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name4-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2ccc(Cn3cccn3)cc2)cc1
InChIInChI=1S/C16H15N3O2S/c17-22(20,21)16-8-6-15(7-9-16)14-4-2-13(3-5-14)12-19-11-1-10-18-19/h1-11H,12H2,(H2,17,20,21)
InChIKeyISHVKZQPCLEIEP-UHFFFAOYSA-N
XLogP2.25
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide (CID 127025293) is 4-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2ccc(Cn3cccn3)cc2)cc1.
What is the InChIKey of 4-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide?
The InChIKey is ISHVKZQPCLEIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c17-22(20,21)16-8-6-15(7-9-16)14-4-2-13(3-5-14)12-19-11-1-10-18-19/h1-11H,12H2,(H2,17,20,21).
What are the key properties of 4-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide?
4-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide has a molecular weight of 313.38 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 127025293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).