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

C17H14F3N3O3S — CID 10786971

IUPAC4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide
SMILESCOc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C17H14F3N3O3S/c1-26-13-6-4-12(5-7-13)23-15(10-16(22-23)17(18,19)20)11-2-8-14(9-3-11)27(21,24)25/h2-10H,1H3,(H2,21,24,25)
InChIKeyYUDKAOHWTPCIOC-UHFFFAOYSA-N
MW397.38 g/mol
LogP3.21
Rot. Bonds4

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

4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide (PubChem CID 10786971) has the molecular formula C17H14F3N3O3S and a molecular weight of 397.38 g/mol. Its IUPAC name is 4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide
PubChem CID10786971
Molecular FormulaC17H14F3N3O3S
Molecular Weight397.38 g/mol
Exact Mass397.07
IUPAC Name4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide
SMILESCOc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C17H14F3N3O3S/c1-26-13-6-4-12(5-7-13)23-15(10-16(22-23)17(18,19)20)11-2-8-14(9-3-11)27(21,24)25/h2-10H,1H3,(H2,21,24,25)
InChIKeyYUDKAOHWTPCIOC-UHFFFAOYSA-N
XLogP3.21
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide?
The IUPAC name of 4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide (CID 10786971) is 4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide?
The canonical SMILES for 4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide is COc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide?
The InChIKey is YUDKAOHWTPCIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O3S/c1-26-13-6-4-12(5-7-13)23-15(10-16(22-23)17(18,19)20)11-2-8-14(9-3-11)27(21,24)25/h2-10H,1H3,(H2,21,24,25).
What are the key properties of 4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide?
4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide has a molecular weight of 397.38 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 10786971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).