N-[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]propane-2-sulfonamide

C23H22N4O2S — CID 51353259

IUPACN-[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1ccc(-c2cn(-c3ccccc3)nc2-c2ccncc2)cc1
InChIInChI=1S/C23H22N4O2S/c1-17(2)30(28,29)26-20-10-8-18(9-11-20)22-16-27(21-6-4-3-5-7-21)25-23(22)19-12-14-24-15-13-19/h3-17,26H,1-2H3
InChIKeyVSGQMKPCSYJBOH-UHFFFAOYSA-N
MW418.52 g/mol
LogP4.75
Rot. Bonds6

About N-[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]propane-2-sulfonamide

N-[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]propane-2-sulfonamide (PubChem CID 51353259) has the molecular formula C23H22N4O2S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]propane-2-sulfonamide
PubChem CID51353259
Molecular FormulaC23H22N4O2S
Molecular Weight418.52 g/mol
Exact Mass418.15
IUPAC NameN-[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1ccc(-c2cn(-c3ccccc3)nc2-c2ccncc2)cc1
InChIInChI=1S/C23H22N4O2S/c1-17(2)30(28,29)26-20-10-8-18(9-11-20)22-16-27(21-6-4-3-5-7-21)25-23(22)19-12-14-24-15-13-19/h3-17,26H,1-2H3
InChIKeyVSGQMKPCSYJBOH-UHFFFAOYSA-N
XLogP4.75
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,1,1-trifluoro-N-[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]methanesulfonamide
CID 51353260
N-[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]butane-1-sulfonamide
CID 51352682
N-[5-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-yl]propane-2-sulfonamide
CID 51353324
[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]methanesulfonamide
CID 51353320
N-[[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]methyl]propane-1-sulfonamide
CID 51352613
1,3,4-triphenylpyrazole
CID 555882
N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]ethanesulfonamide
CID 48947247
N-(4-pyrazol-1-ylphenyl)propane-2-sulfonamide
CID 62999857
3-(1,3-diphenylpyrazol-4-yl)pyridine
CID 166447662
4-(4-bromo-1-phenylpyrazol-3-yl)pyridine
CID 67295632
4-[3-(4-fluorophenyl)-1-(4-methylsulfanylphenyl)pyrazol-4-yl]pyridine
CID 15837968
4-(1-methyl-4-phenylpyrazol-3-yl)pyridine
CID 20716425

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]propane-2-sulfonamide?
The IUPAC name of N-[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]propane-2-sulfonamide (CID 51353259) is N-[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]propane-2-sulfonamide.
What is the SMILES notation for N-[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]propane-2-sulfonamide?
The canonical SMILES for N-[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]propane-2-sulfonamide is CC(C)S(=O)(=O)Nc1ccc(-c2cn(-c3ccccc3)nc2-c2ccncc2)cc1.
What is the InChIKey of N-[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]propane-2-sulfonamide?
The InChIKey is VSGQMKPCSYJBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2S/c1-17(2)30(28,29)26-20-10-8-18(9-11-20)22-16-27(21-6-4-3-5-7-21)25-23(22)19-12-14-24-15-13-19/h3-17,26H,1-2H3.
What are the key properties of N-[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]propane-2-sulfonamide?
N-[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]propane-2-sulfonamide has a molecular weight of 418.52 g/mol, XLogP of 4.75, 6 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]propane-2-sulfonamide is sourced from PubChem (CID 51353259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).