4-methoxy-3-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide

C14H16F3N3O3S — CID 90588717

IUPAC4-methoxy-3-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCn2ccc(C(F)(F)F)n2)cc1C
InChIInChI=1S/C14H16F3N3O3S/c1-10-9-11(3-4-12(10)23-2)24(21,22)18-6-8-20-7-5-13(19-20)14(15,16)17/h3-5,7,9,18H,6,8H2,1-2H3
InChIKeyCYYLAHDGLBOTJB-UHFFFAOYSA-N
MW363.36 g/mol
LogP2.20
Rot. Bonds6

About 4-methoxy-3-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide

4-methoxy-3-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide (PubChem CID 90588717) has the molecular formula C14H16F3N3O3S and a molecular weight of 363.36 g/mol. Its IUPAC name is 4-methoxy-3-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide
PubChem CID90588717
Molecular FormulaC14H16F3N3O3S
Molecular Weight363.36 g/mol
Exact Mass363.09
IUPAC Name4-methoxy-3-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCn2ccc(C(F)(F)F)n2)cc1C
InChIInChI=1S/C14H16F3N3O3S/c1-10-9-11(3-4-12(10)23-2)24(21,22)18-6-8-20-7-5-13(19-20)14(15,16)17/h3-5,7,9,18H,6,8H2,1-2H3
InChIKeyCYYLAHDGLBOTJB-UHFFFAOYSA-N
XLogP2.20
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methoxy-3-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

4-methoxy-3,5-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide
CID 90588740
2-methoxy-5-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide
CID 90588718
2,4,5-trimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide
CID 90588714
3-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide
CID 90588752
2-ethoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide
CID 90588716
4-methoxy-3-methyl-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzenesulfonamide
CID 90615713
N-[2-(ethylamino)ethyl]-4-methoxy-3-methylbenzenesulfonamide;hydrochloride
CID 119973818
3,4-dimethoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 90588175
3-methyl-4-propoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 90588184
N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopropanesulfonamide
CID 71808057
4-methoxy-3-methyl-N-[2-(1,3-oxazol-4-yl)ethyl]benzenesulfonamide
CID 110722035
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 121139706

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-3-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide (CID 90588717) is 4-methoxy-3-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-3-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCCn2ccc(C(F)(F)F)n2)cc1C.
What is the InChIKey of 4-methoxy-3-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide?
The InChIKey is CYYLAHDGLBOTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O3S/c1-10-9-11(3-4-12(10)23-2)24(21,22)18-6-8-20-7-5-13(19-20)14(15,16)17/h3-5,7,9,18H,6,8H2,1-2H3.
What are the key properties of 4-methoxy-3-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide?
4-methoxy-3-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide has a molecular weight of 363.36 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 90588717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).