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

C17H14F3N3O2S — CID 22315633

IUPAC3-methyl-4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)ccc1-n1nc(C(F)(F)F)cc1-c1ccccc1
InChIInChI=1S/C17H14F3N3O2S/c1-11-9-13(26(21,24)25)7-8-14(11)23-15(12-5-3-2-4-6-12)10-16(22-23)17(18,19)20/h2-10H,1H3,(H2,21,24,25)
InChIKeyVNDZUOKQBJDYCL-UHFFFAOYSA-N
MW381.38 g/mol
LogP3.51
Rot. Bonds3

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

3-methyl-4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 22315633) has the molecular formula C17H14F3N3O2S and a molecular weight of 381.38 g/mol. Its IUPAC name is 3-methyl-4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID22315633
Molecular FormulaC17H14F3N3O2S
Molecular Weight381.38 g/mol
Exact Mass381.08
IUPAC Name3-methyl-4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)ccc1-n1nc(C(F)(F)F)cc1-c1ccccc1
InChIInChI=1S/C17H14F3N3O2S/c1-11-9-13(26(21,24)25)7-8-14(11)23-15(12-5-3-2-4-6-12)10-16(22-23)17(18,19)20/h2-10H,1H3,(H2,21,24,25)
InChIKeyVNDZUOKQBJDYCL-UHFFFAOYSA-N
XLogP3.51
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 3-methyl-4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (CID 22315633) is 3-methyl-4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 3-methyl-4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 3-methyl-4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is Cc1cc(S(N)(=O)=O)ccc1-n1nc(C(F)(F)F)cc1-c1ccccc1.
What is the InChIKey of 3-methyl-4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is VNDZUOKQBJDYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2S/c1-11-9-13(26(21,24)25)7-8-14(11)23-15(12-5-3-2-4-6-12)10-16(22-23)17(18,19)20/h2-10H,1H3,(H2,21,24,25).
What are the key properties of 3-methyl-4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
3-methyl-4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 381.38 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 22315633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).