4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfinamide

C16H12F3N3OS — CID 142108640

IUPAC4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfinamide
SMILESNS(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccccc2)cc1
InChIInChI=1S/C16H12F3N3OS/c17-16(18,19)15-10-14(11-4-2-1-3-5-11)22(21-15)12-6-8-13(9-7-12)24(20)23/h1-10H,20H2
InChIKeyOKTLJJWAWIZVNW-UHFFFAOYSA-N
MW351.35 g/mol
LogP3.54
Rot. Bonds3

About 4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfinamide

4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfinamide (PubChem CID 142108640) has the molecular formula C16H12F3N3OS and a molecular weight of 351.35 g/mol. Its IUPAC name is 4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfinamide.

Molecular Properties

Compound Name4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfinamide
PubChem CID142108640
Molecular FormulaC16H12F3N3OS
Molecular Weight351.35 g/mol
Exact Mass351.07
IUPAC Name4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfinamide
SMILESNS(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccccc2)cc1
InChIInChI=1S/C16H12F3N3OS/c17-16(18,19)15-10-14(11-4-2-1-3-5-11)22(21-15)12-6-8-13(9-7-12)24(20)23/h1-10H,20H2
InChIKeyOKTLJJWAWIZVNW-UHFFFAOYSA-N
XLogP3.54
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.35
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

S-[4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiohydroxylamine
CID 145117691
4-[1-[4-[(E)-amino(1-hydroxyethylidene)-λ4-sulfanyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]phenol
CID 163477507
N-hydroxy-4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfinamide
CID 71214308
1-(3-nitrophenyl)-5-phenyl-3-(trifluoromethyl)pyrazole
CID 23069975
2-methyl-5-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]aniline
CID 89423560
sodium 4-[1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfinate
CID 70297444
4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 10021928
5-(4-methylphenyl)-1-[4-(sulfinoamino)phenyl]-3-(trifluoromethyl)pyrazole
CID 58372565
[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine
CID 21090692
N,N-dibenzyl-4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 56833773
2-[4-[1-(4-phenylmethoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]ethanamine
CID 21090708
4-[5-(4-nitrophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 10201726

Frequently Asked Questions

What is the IUPAC name of 4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfinamide?
The IUPAC name of 4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfinamide (CID 142108640) is 4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfinamide.
What is the SMILES notation for 4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfinamide?
The canonical SMILES for 4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfinamide is NS(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccccc2)cc1.
What is the InChIKey of 4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfinamide?
The InChIKey is OKTLJJWAWIZVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3OS/c17-16(18,19)15-10-14(11-4-2-1-3-5-11)22(21-15)12-6-8-13(9-7-12)24(20)23/h1-10H,20H2.
What are the key properties of 4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfinamide?
4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfinamide has a molecular weight of 351.35 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfinamide is sourced from PubChem (CID 142108640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).