4-[5-(3-hydroxy-4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

C17H14F3N3O3S — CID 56666807

IUPAC4-[5-(3-hydroxy-4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESCc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1O
InChIInChI=1S/C17H14F3N3O3S/c1-10-2-3-11(8-15(10)24)14-9-16(17(18,19)20)22-23(14)12-4-6-13(7-5-12)27(21,25)26/h2-9,24H,1H3,(H2,21,25,26)
InChIKeyHFVPKBNDNRVBHU-UHFFFAOYSA-N
MW397.38 g/mol
LogP3.22
Rot. Bonds3

About 4-[5-(3-hydroxy-4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

4-[5-(3-hydroxy-4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 56666807) has the molecular formula C17H14F3N3O3S and a molecular weight of 397.38 g/mol. Its IUPAC name is 4-[5-(3-hydroxy-4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(3-hydroxy-4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID56666807
Molecular FormulaC17H14F3N3O3S
Molecular Weight397.38 g/mol
Exact Mass397.07
IUPAC Name4-[5-(3-hydroxy-4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESCc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1O
InChIInChI=1S/C17H14F3N3O3S/c1-10-2-3-11(8-15(10)24)14-9-16(17(18,19)20)22-23(14)12-4-6-13(7-5-12)27(21,25)26/h2-9,24H,1H3,(H2,21,25,26)
InChIKeyHFVPKBNDNRVBHU-UHFFFAOYSA-N
XLogP3.22
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.38
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-hydroxy-4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(3-hydroxy-4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (CID 56666807) is 4-[5-(3-hydroxy-4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(3-hydroxy-4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(3-hydroxy-4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1O.
What is the InChIKey of 4-[5-(3-hydroxy-4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is HFVPKBNDNRVBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O3S/c1-10-2-3-11(8-15(10)24)14-9-16(17(18,19)20)22-23(14)12-4-6-13(7-5-12)27(21,25)26/h2-9,24H,1H3,(H2,21,25,26).
What are the key properties of 4-[5-(3-hydroxy-4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
4-[5-(3-hydroxy-4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 397.38 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-hydroxy-4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 56666807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).