N-[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]butane-1-sulfonamide

C24H24N4O2S — CID 51352682

IUPACN-[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(-c2cn(-c3ccccc3)nc2-c2ccncc2)cc1
InChIInChI=1S/C24H24N4O2S/c1-2-3-17-31(29,30)27-21-11-9-19(10-12-21)23-18-28(22-7-5-4-6-8-22)26-24(23)20-13-15-25-16-14-20/h4-16,18,27H,2-3,17H2,1H3
InChIKeyDYUODFGYHUYYPT-UHFFFAOYSA-N
MW432.55 g/mol
LogP5.14
Rot. Bonds8

About N-[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]butane-1-sulfonamide

N-[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]butane-1-sulfonamide (PubChem CID 51352682) has the molecular formula C24H24N4O2S and a molecular weight of 432.55 g/mol. Its IUPAC name is N-[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]butane-1-sulfonamide
PubChem CID51352682
Molecular FormulaC24H24N4O2S
Molecular Weight432.55 g/mol
Exact Mass432.16
IUPAC NameN-[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(-c2cn(-c3ccccc3)nc2-c2ccncc2)cc1
InChIInChI=1S/C24H24N4O2S/c1-2-3-17-31(29,30)27-21-11-9-19(10-12-21)23-18-28(22-7-5-4-6-8-22)26-24(23)20-13-15-25-16-14-20/h4-16,18,27H,2-3,17H2,1H3
InChIKeyDYUODFGYHUYYPT-UHFFFAOYSA-N
XLogP5.14
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.55
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]butane-1-sulfonamide?
The IUPAC name of N-[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]butane-1-sulfonamide (CID 51352682) is N-[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]butane-1-sulfonamide.
What is the SMILES notation for N-[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]butane-1-sulfonamide?
The canonical SMILES for N-[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]butane-1-sulfonamide is CCCCS(=O)(=O)Nc1ccc(-c2cn(-c3ccccc3)nc2-c2ccncc2)cc1.
What is the InChIKey of N-[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]butane-1-sulfonamide?
The InChIKey is DYUODFGYHUYYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2S/c1-2-3-17-31(29,30)27-21-11-9-19(10-12-21)23-18-28(22-7-5-4-6-8-22)26-24(23)20-13-15-25-16-14-20/h4-16,18,27H,2-3,17H2,1H3.
What are the key properties of N-[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]butane-1-sulfonamide?
N-[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]butane-1-sulfonamide has a molecular weight of 432.55 g/mol, XLogP of 5.14, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]butane-1-sulfonamide is sourced from PubChem (CID 51352682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).