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

C18H17F3N4O2S — CID 22315468

IUPAC4-[5-[3-methyl-4-(methylamino)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESCNc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1C
InChIInChI=1S/C18H17F3N4O2S/c1-11-9-12(3-8-15(11)23-2)16-10-17(18(19,20)21)24-25(16)13-4-6-14(7-5-13)28(22,26)27/h3-10,23H,1-2H3,(H2,22,26,27)
InChIKeyAGJKAQQUAPLSHB-UHFFFAOYSA-N
MW410.42 g/mol
LogP3.56
Rot. Bonds4

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

4-[5-[3-methyl-4-(methylamino)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 22315468) has the molecular formula C18H17F3N4O2S and a molecular weight of 410.42 g/mol. Its IUPAC name is 4-[5-[3-methyl-4-(methylamino)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-[3-methyl-4-(methylamino)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID22315468
Molecular FormulaC18H17F3N4O2S
Molecular Weight410.42 g/mol
Exact Mass410.10
IUPAC Name4-[5-[3-methyl-4-(methylamino)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESCNc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1C
InChIInChI=1S/C18H17F3N4O2S/c1-11-9-12(3-8-15(11)23-2)16-10-17(18(19,20)21)24-25(16)13-4-6-14(7-5-13)28(22,26)27/h3-10,23H,1-2H3,(H2,22,26,27)
InChIKeyAGJKAQQUAPLSHB-UHFFFAOYSA-N
XLogP3.56
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[5-[3-methyl-4-(methylamino)phenyl]-3-(trifluoromethyl)pyrazol-1-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-[5-[3-methyl-4-(methylamino)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-[3-methyl-4-(methylamino)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (CID 22315468) is 4-[5-[3-methyl-4-(methylamino)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-[3-methyl-4-(methylamino)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-[3-methyl-4-(methylamino)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is CNc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1C.
What is the InChIKey of 4-[5-[3-methyl-4-(methylamino)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is AGJKAQQUAPLSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O2S/c1-11-9-12(3-8-15(11)23-2)16-10-17(18(19,20)21)24-25(16)13-4-6-14(7-5-13)28(22,26)27/h3-10,23H,1-2H3,(H2,22,26,27).
What are the key properties of 4-[5-[3-methyl-4-(methylamino)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
4-[5-[3-methyl-4-(methylamino)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 410.42 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3-methyl-4-(methylamino)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 22315468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).