2-[4-(4-methoxyphenyl)-1-prop-1-enyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide

C20H18F3N3O3S — CID 67647129

IUPAC2-[4-(4-methoxyphenyl)-1-prop-1-enyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide
SMILESCC=Cn1nc(-c2ccccc2S(N)(=O)=O)c(-c2ccc(OC)cc2)c1C(F)(F)F
InChIInChI=1S/C20H18F3N3O3S/c1-3-12-26-19(20(21,22)23)17(13-8-10-14(29-2)11-9-13)18(25-26)15-6-4-5-7-16(15)30(24,27)28/h3-12H,1-2H3,(H2,24,27,28)
InChIKeyRJIWYDMWYWZBHO-UHFFFAOYSA-N
MW437.44 g/mol
LogP4.38
Rot. Bonds5

About 2-[4-(4-methoxyphenyl)-1-prop-1-enyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide

2-[4-(4-methoxyphenyl)-1-prop-1-enyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide (PubChem CID 67647129) has the molecular formula C20H18F3N3O3S and a molecular weight of 437.44 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)-1-prop-1-enyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)-1-prop-1-enyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide
PubChem CID67647129
Molecular FormulaC20H18F3N3O3S
Molecular Weight437.44 g/mol
Exact Mass437.10
IUPAC Name2-[4-(4-methoxyphenyl)-1-prop-1-enyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide
SMILESCC=Cn1nc(-c2ccccc2S(N)(=O)=O)c(-c2ccc(OC)cc2)c1C(F)(F)F
InChIInChI=1S/C20H18F3N3O3S/c1-3-12-26-19(20(21,22)23)17(13-8-10-14(29-2)11-9-13)18(25-26)15-6-4-5-7-16(15)30(24,27)28/h3-12H,1-2H3,(H2,24,27,28)
InChIKeyRJIWYDMWYWZBHO-UHFFFAOYSA-N
XLogP4.38
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.44
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)-1-prop-1-enyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide?
The IUPAC name of 2-[4-(4-methoxyphenyl)-1-prop-1-enyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide (CID 67647129) is 2-[4-(4-methoxyphenyl)-1-prop-1-enyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)-1-prop-1-enyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for 2-[4-(4-methoxyphenyl)-1-prop-1-enyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide is CC=Cn1nc(-c2ccccc2S(N)(=O)=O)c(-c2ccc(OC)cc2)c1C(F)(F)F.
What is the InChIKey of 2-[4-(4-methoxyphenyl)-1-prop-1-enyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide?
The InChIKey is RJIWYDMWYWZBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O3S/c1-3-12-26-19(20(21,22)23)17(13-8-10-14(29-2)11-9-13)18(25-26)15-6-4-5-7-16(15)30(24,27)28/h3-12H,1-2H3,(H2,24,27,28).
What are the key properties of 2-[4-(4-methoxyphenyl)-1-prop-1-enyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide?
2-[4-(4-methoxyphenyl)-1-prop-1-enyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide has a molecular weight of 437.44 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)-1-prop-1-enyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 67647129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).