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

C18H15F4N3O3S — CID 19355822

IUPAC4-[4-(3-fluoro-4-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide
SMILESCOc1ccc(-c2c(-c3ccc(S(N)(=O)=O)cc3)nn(C)c2C(F)(F)F)cc1F
InChIInChI=1S/C18H15F4N3O3S/c1-25-17(18(20,21)22)15(11-5-8-14(28-2)13(19)9-11)16(24-25)10-3-6-12(7-4-10)29(23,26)27/h3-9H,1-2H3,(H2,23,26,27)
InChIKeyCICAULIQIFPKLU-UHFFFAOYSA-N
MW429.40 g/mol
LogP3.57
Rot. Bonds4

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

4-[4-(3-fluoro-4-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide (PubChem CID 19355822) has the molecular formula C18H15F4N3O3S and a molecular weight of 429.40 g/mol. Its IUPAC name is 4-[4-(3-fluoro-4-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(3-fluoro-4-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide
PubChem CID19355822
Molecular FormulaC18H15F4N3O3S
Molecular Weight429.40 g/mol
Exact Mass429.08
IUPAC Name4-[4-(3-fluoro-4-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide
SMILESCOc1ccc(-c2c(-c3ccc(S(N)(=O)=O)cc3)nn(C)c2C(F)(F)F)cc1F
InChIInChI=1S/C18H15F4N3O3S/c1-25-17(18(20,21)22)15(11-5-8-14(28-2)13(19)9-11)16(24-25)10-3-6-12(7-4-10)29(23,26)27/h3-9H,1-2H3,(H2,23,26,27)
InChIKeyCICAULIQIFPKLU-UHFFFAOYSA-N
XLogP3.57
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.40
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[4-(3-fluoro-4-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-fluoro-4-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide?
The IUPAC name of 4-[4-(3-fluoro-4-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide (CID 19355822) is 4-[4-(3-fluoro-4-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(3-fluoro-4-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-(3-fluoro-4-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide is COc1ccc(-c2c(-c3ccc(S(N)(=O)=O)cc3)nn(C)c2C(F)(F)F)cc1F.
What is the InChIKey of 4-[4-(3-fluoro-4-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide?
The InChIKey is CICAULIQIFPKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F4N3O3S/c1-25-17(18(20,21)22)15(11-5-8-14(28-2)13(19)9-11)16(24-25)10-3-6-12(7-4-10)29(23,26)27/h3-9H,1-2H3,(H2,23,26,27).
What are the key properties of 4-[4-(3-fluoro-4-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide?
4-[4-(3-fluoro-4-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide has a molecular weight of 429.40 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-fluoro-4-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 19355822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).