4-phenyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzenesulfonamide

C22H16F3N3O2S — CID 3709747

IUPAC4-phenyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H16F3N3O2S/c23-22(24,25)21-14-15-28(26-21)19-10-8-18(9-11-19)27-31(29,30)20-12-6-17(7-13-20)16-4-2-1-3-5-16/h1-15,27H
InChIKeyKCVWMOOHCGQAPY-UHFFFAOYSA-N
MW443.45 g/mol
LogP5.36
Rot. Bonds5

About 4-phenyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzenesulfonamide

4-phenyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzenesulfonamide (PubChem CID 3709747) has the molecular formula C22H16F3N3O2S and a molecular weight of 443.45 g/mol. Its IUPAC name is 4-phenyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-phenyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzenesulfonamide
PubChem CID3709747
Molecular FormulaC22H16F3N3O2S
Molecular Weight443.45 g/mol
Exact Mass443.09
IUPAC Name4-phenyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H16F3N3O2S/c23-22(24,25)21-14-15-28(26-21)19-10-8-18(9-11-19)27-31(29,30)20-12-6-17(7-13-20)16-4-2-1-3-5-16/h1-15,27H
InChIKeyKCVWMOOHCGQAPY-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

2-chloro-4-fluoro-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzenesulfonamide
CID 3839906
4-fluoro-N-[4-(3-methylpyrazol-1-yl)phenyl]benzenesulfonamide
CID 35521119
4-N-(4-phenylphenyl)benzene-1,4-disulfonamide
CID 8822463
1-(4-methylphenyl)-3-(trifluoromethyl)pyrazole
CID 66015733
1-(4-phenoxyphenyl)-3-(trifluoromethyl)pyrazole
CID 142641849
4-[(4-methylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide
CID 55537155
1,3-diphenyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide
CID 42285114
4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712
1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazole
CID 54050324
1-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]phenyl]pyrazole-3-carboxylic acid
CID 47076109
N-[3,5-bis(trifluoromethyl)phenyl]-4-(tetrazol-1-yl)benzenesulfonamide
CID 166204102
N-[4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 5295684

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzenesulfonamide?
The IUPAC name of 4-phenyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzenesulfonamide (CID 3709747) is 4-phenyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-phenyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-phenyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-phenyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzenesulfonamide?
The InChIKey is KCVWMOOHCGQAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N3O2S/c23-22(24,25)21-14-15-28(26-21)19-10-8-18(9-11-19)27-31(29,30)20-12-6-17(7-13-20)16-4-2-1-3-5-16/h1-15,27H.
What are the key properties of 4-phenyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzenesulfonamide?
4-phenyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzenesulfonamide 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 4-phenyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 3709747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).