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

C19H18F3N3O3S — CID 19355331

IUPAC4-[1-ethyl-4-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide
SMILESCCn1nc(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccc(OC)cc2)c1C(F)(F)F
InChIInChI=1S/C19H18F3N3O3S/c1-3-25-18(19(20,21)22)16(12-4-8-14(28-2)9-5-12)17(24-25)13-6-10-15(11-7-13)29(23,26)27/h4-11H,3H2,1-2H3,(H2,23,26,27)
InChIKeyXAWWRZJPMDUGBC-UHFFFAOYSA-N
MW425.43 g/mol
LogP3.91
Rot. Bonds5

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

4-[1-ethyl-4-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide (PubChem CID 19355331) has the molecular formula C19H18F3N3O3S and a molecular weight of 425.43 g/mol. Its IUPAC name is 4-[1-ethyl-4-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-ethyl-4-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide
PubChem CID19355331
Molecular FormulaC19H18F3N3O3S
Molecular Weight425.43 g/mol
Exact Mass425.10
IUPAC Name4-[1-ethyl-4-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide
SMILESCCn1nc(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccc(OC)cc2)c1C(F)(F)F
InChIInChI=1S/C19H18F3N3O3S/c1-3-25-18(19(20,21)22)16(12-4-8-14(28-2)9-5-12)17(24-25)13-6-10-15(11-7-13)29(23,26)27/h4-11H,3H2,1-2H3,(H2,23,26,27)
InChIKeyXAWWRZJPMDUGBC-UHFFFAOYSA-N
XLogP3.91
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.43
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[1-ethyl-4-(4-methoxyphenyl)-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-[1-ethyl-4-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide?
The IUPAC name of 4-[1-ethyl-4-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide (CID 19355331) is 4-[1-ethyl-4-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-[1-ethyl-4-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for 4-[1-ethyl-4-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide is CCn1nc(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccc(OC)cc2)c1C(F)(F)F.
What is the InChIKey of 4-[1-ethyl-4-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide?
The InChIKey is XAWWRZJPMDUGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O3S/c1-3-25-18(19(20,21)22)16(12-4-8-14(28-2)9-5-12)17(24-25)13-6-10-15(11-7-13)29(23,26)27/h4-11H,3H2,1-2H3,(H2,23,26,27).
What are the key properties of 4-[1-ethyl-4-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide?
4-[1-ethyl-4-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide has a molecular weight of 425.43 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-ethyl-4-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 19355331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).