4-(benzenesulfonyl)-N,1,5-triphenylpyrazole-3-carboxamide

C28H21N3O3S — CID 3627793

IUPAC4-(benzenesulfonyl)-N,1,5-triphenylpyrazole-3-carboxamide
SMILESO=C(Nc1ccccc1)c1nn(-c2ccccc2)c(-c2ccccc2)c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C28H21N3O3S/c32-28(29-22-15-7-2-8-16-22)25-27(35(33,34)24-19-11-4-12-20-24)26(21-13-5-1-6-14-21)31(30-25)23-17-9-3-10-18-23/h1-20H,(H,29,32)
InChIKeyGYRHSBFBFFISDE-UHFFFAOYSA-N
MW479.56 g/mol
LogP5.62
Rot. Bonds6

About 4-(benzenesulfonyl)-N,1,5-triphenylpyrazole-3-carboxamide

4-(benzenesulfonyl)-N,1,5-triphenylpyrazole-3-carboxamide (PubChem CID 3627793) has the molecular formula C28H21N3O3S and a molecular weight of 479.56 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-N,1,5-triphenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-(benzenesulfonyl)-N,1,5-triphenylpyrazole-3-carboxamide
PubChem CID3627793
Molecular FormulaC28H21N3O3S
Molecular Weight479.56 g/mol
Exact Mass479.13
IUPAC Name4-(benzenesulfonyl)-N,1,5-triphenylpyrazole-3-carboxamide
SMILESO=C(Nc1ccccc1)c1nn(-c2ccccc2)c(-c2ccccc2)c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C28H21N3O3S/c32-28(29-22-15-7-2-8-16-22)25-27(35(33,34)24-19-11-4-12-20-24)26(21-13-5-1-6-14-21)31(30-25)23-17-9-3-10-18-23/h1-20H,(H,29,32)
InChIKeyGYRHSBFBFFISDE-UHFFFAOYSA-N
XLogP5.62
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.56
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-N,1,5-triphenylpyrazole-3-carboxamide?
The IUPAC name of 4-(benzenesulfonyl)-N,1,5-triphenylpyrazole-3-carboxamide (CID 3627793) is 4-(benzenesulfonyl)-N,1,5-triphenylpyrazole-3-carboxamide.
What is the SMILES notation for 4-(benzenesulfonyl)-N,1,5-triphenylpyrazole-3-carboxamide?
The canonical SMILES for 4-(benzenesulfonyl)-N,1,5-triphenylpyrazole-3-carboxamide is O=C(Nc1ccccc1)c1nn(-c2ccccc2)c(-c2ccccc2)c1S(=O)(=O)c1ccccc1.
What is the InChIKey of 4-(benzenesulfonyl)-N,1,5-triphenylpyrazole-3-carboxamide?
The InChIKey is GYRHSBFBFFISDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N3O3S/c32-28(29-22-15-7-2-8-16-22)25-27(35(33,34)24-19-11-4-12-20-24)26(21-13-5-1-6-14-21)31(30-25)23-17-9-3-10-18-23/h1-20H,(H,29,32).
What are the key properties of 4-(benzenesulfonyl)-N,1,5-triphenylpyrazole-3-carboxamide?
4-(benzenesulfonyl)-N,1,5-triphenylpyrazole-3-carboxamide has a molecular weight of 479.56 g/mol, XLogP of 5.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-N,1,5-triphenylpyrazole-3-carboxamide is sourced from PubChem (CID 3627793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).