1,3-diphenyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide

C22H16F3N3O2S — CID 42285114

IUPAC1,3-diphenyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1ccc(C(F)(F)F)cc1)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C22H16F3N3O2S/c23-22(24,25)17-11-13-18(14-12-17)27-31(29,30)20-15-28(19-9-5-2-6-10-19)26-21(20)16-7-3-1-4-8-16/h1-15,27H
InChIKeyMWPFGAKLTVQBOL-UHFFFAOYSA-N
MW443.45 g/mol
LogP5.36
Rot. Bonds5

About 1,3-diphenyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide

1,3-diphenyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide (PubChem CID 42285114) has the molecular formula C22H16F3N3O2S and a molecular weight of 443.45 g/mol. Its IUPAC name is 1,3-diphenyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,3-diphenyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide
PubChem CID42285114
Molecular FormulaC22H16F3N3O2S
Molecular Weight443.45 g/mol
Exact Mass443.09
IUPAC Name1,3-diphenyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1ccc(C(F)(F)F)cc1)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C22H16F3N3O2S/c23-22(24,25)17-11-13-18(14-12-17)27-31(29,30)20-15-28(19-9-5-2-6-10-19)26-21(20)16-7-3-1-4-8-16/h1-15,27H
InChIKeyMWPFGAKLTVQBOL-UHFFFAOYSA-N
XLogP5.36
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.45
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-1,3-diphenylpyrazole-4-sulfonamide
CID 42349444
3-methyl-1-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide
CID 42283326
3-phenyl-1-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide
CID 42284900
N-(4-hydroxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285475
N-(4-fluorophenyl)-1-methyl-3-phenylpyrazole-4-sulfonamide
CID 42345556
1,1,1-trifluoro-N-[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]methanesulfonamide
CID 51353260
N-butyl-1,3-diphenylpyrazole-4-sulfonamide
CID 42349141
N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-diphenylpyrazole-4-sulfonamide
CID 42285151
1,3-diphenyl-4-pyrrolidin-1-ylsulfonylpyrazole
CID 42348986
N-[2-(2-hydroxyethoxy)ethyl]-1,3-diphenylpyrazole-4-sulfonamide
CID 42349187
N-(4-tert-butylphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 7914296
4-phenyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzenesulfonamide
CID 3709747

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide?
The IUPAC name of 1,3-diphenyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide (CID 42285114) is 1,3-diphenyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1,3-diphenyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1,3-diphenyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide is O=S(=O)(Nc1ccc(C(F)(F)F)cc1)c1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 1,3-diphenyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide?
The InChIKey is MWPFGAKLTVQBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N3O2S/c23-22(24,25)17-11-13-18(14-12-17)27-31(29,30)20-15-28(19-9-5-2-6-10-19)26-21(20)16-7-3-1-4-8-16/h1-15,27H.
What are the key properties of 1,3-diphenyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide?
1,3-diphenyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide has a molecular weight of 443.45 g/mol, XLogP of 5.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 42285114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).