3-(3-fluoro-4-methoxyphenyl)-4-pyrazol-1-yl-5-(trifluoromethyl)benzenesulfonamide

C17H13F4N3O3S — CID 91055569

IUPAC3-(3-fluoro-4-methoxyphenyl)-4-pyrazol-1-yl-5-(trifluoromethyl)benzenesulfonamide
SMILESCOc1ccc(-c2cc(S(N)(=O)=O)cc(C(F)(F)F)c2-n2cccn2)cc1F
InChIInChI=1S/C17H13F4N3O3S/c1-27-15-4-3-10(7-14(15)18)12-8-11(28(22,25)26)9-13(17(19,20)21)16(12)24-6-2-5-23-24/h2-9H,1H3,(H2,22,25,26)
InChIKeyORLYADITRWHINE-UHFFFAOYSA-N
MW415.37 g/mol
LogP3.35
Rot. Bonds4

About 3-(3-fluoro-4-methoxyphenyl)-4-pyrazol-1-yl-5-(trifluoromethyl)benzenesulfonamide

3-(3-fluoro-4-methoxyphenyl)-4-pyrazol-1-yl-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 91055569) has the molecular formula C17H13F4N3O3S and a molecular weight of 415.37 g/mol. Its IUPAC name is 3-(3-fluoro-4-methoxyphenyl)-4-pyrazol-1-yl-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(3-fluoro-4-methoxyphenyl)-4-pyrazol-1-yl-5-(trifluoromethyl)benzenesulfonamide
PubChem CID91055569
Molecular FormulaC17H13F4N3O3S
Molecular Weight415.37 g/mol
Exact Mass415.06
IUPAC Name3-(3-fluoro-4-methoxyphenyl)-4-pyrazol-1-yl-5-(trifluoromethyl)benzenesulfonamide
SMILESCOc1ccc(-c2cc(S(N)(=O)=O)cc(C(F)(F)F)c2-n2cccn2)cc1F
InChIInChI=1S/C17H13F4N3O3S/c1-27-15-4-3-10(7-14(15)18)12-8-11(28(22,25)26)9-13(17(19,20)21)16(12)24-6-2-5-23-24/h2-9H,1H3,(H2,22,25,26)
InChIKeyORLYADITRWHINE-UHFFFAOYSA-N
XLogP3.35
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide
CID 10808251
2-pyrazol-1-yl-3-(trifluoromethyl)-5-(3,4,5-trifluorophenyl)benzenesulfonamide
CID 22420279
2-pyrazol-1-yl-3-(trifluoromethyl)-5-(2,3,6-trifluorophenyl)benzenesulfonamide
CID 22415540
4-[2-[3-methoxy-4-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide
CID 23451260
4-[5-(3-fluoro-4-methoxyphenyl)-3-(1-fluoro-1-phosphanylethyl)pyrazol-1-yl]benzenesulfonamide
CID 143009192
2-[4-(3-fluoro-4-methoxyphenyl)-3-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]butanoic acid
CID 54316485
4-[5-(3-fluoro-4-methoxyphenyl)cyclopenta-1,4-dien-1-yl]benzenesulfonamide
CID 23370587
3-ethyl-5-(3-fluoro-4-methoxyphenyl)imidazol-4-amine
CID 65096261
2-pyrazol-1-yl-5-(2,3,4,5-tetrachlorophenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 22415459
4-[3-(3-fluoro-4-methoxyphenyl)-5-methyl-1,2-thiazol-4-yl]benzenesulfonamide
CID 67578397
2-(3-fluoro-4-methoxyphenyl)pyrimidine
CID 134263784
4-[2-[3,5-dimethoxy-4-(trifluoromethyl)phenyl]-4,5-difluorophenyl]benzenesulfonamide
CID 23451308

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-4-pyrazol-1-yl-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-4-pyrazol-1-yl-5-(trifluoromethyl)benzenesulfonamide (CID 91055569) is 3-(3-fluoro-4-methoxyphenyl)-4-pyrazol-1-yl-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 3-(3-fluoro-4-methoxyphenyl)-4-pyrazol-1-yl-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 3-(3-fluoro-4-methoxyphenyl)-4-pyrazol-1-yl-5-(trifluoromethyl)benzenesulfonamide is COc1ccc(-c2cc(S(N)(=O)=O)cc(C(F)(F)F)c2-n2cccn2)cc1F.
What is the InChIKey of 3-(3-fluoro-4-methoxyphenyl)-4-pyrazol-1-yl-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is ORLYADITRWHINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F4N3O3S/c1-27-15-4-3-10(7-14(15)18)12-8-11(28(22,25)26)9-13(17(19,20)21)16(12)24-6-2-5-23-24/h2-9H,1H3,(H2,22,25,26).
What are the key properties of 3-(3-fluoro-4-methoxyphenyl)-4-pyrazol-1-yl-5-(trifluoromethyl)benzenesulfonamide?
3-(3-fluoro-4-methoxyphenyl)-4-pyrazol-1-yl-5-(trifluoromethyl)benzenesulfonamide has a molecular weight of 415.37 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methoxyphenyl)-4-pyrazol-1-yl-5-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 91055569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).