4-methoxy-3,5-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide

C15H18F3N3O3S — CID 90588740

IUPAC4-methoxy-3,5-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide
SMILESCOc1c(C)cc(S(=O)(=O)NCCn2ccc(C(F)(F)F)n2)cc1C
InChIInChI=1S/C15H18F3N3O3S/c1-10-8-12(9-11(2)14(10)24-3)25(22,23)19-5-7-21-6-4-13(20-21)15(16,17)18/h4,6,8-9,19H,5,7H2,1-3H3
InChIKeyRAODYPVVIOFAAO-UHFFFAOYSA-N
MW377.39 g/mol
LogP2.51
Rot. Bonds6

About 4-methoxy-3,5-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide

4-methoxy-3,5-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide (PubChem CID 90588740) has the molecular formula C15H18F3N3O3S and a molecular weight of 377.39 g/mol. Its IUPAC name is 4-methoxy-3,5-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3,5-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide
PubChem CID90588740
Molecular FormulaC15H18F3N3O3S
Molecular Weight377.39 g/mol
Exact Mass377.10
IUPAC Name4-methoxy-3,5-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide
SMILESCOc1c(C)cc(S(=O)(=O)NCCn2ccc(C(F)(F)F)n2)cc1C
InChIInChI=1S/C15H18F3N3O3S/c1-10-8-12(9-11(2)14(10)24-3)25(22,23)19-5-7-21-6-4-13(20-21)15(16,17)18/h4,6,8-9,19H,5,7H2,1-3H3
InChIKeyRAODYPVVIOFAAO-UHFFFAOYSA-N
XLogP2.51
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-3-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide
CID 90588717
2,4,5-trimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide
CID 90588714
2-methoxy-5-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide
CID 90588718
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
N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopropanesulfonamide
CID 71808057
4-methoxy-3,5-dimethyl-N-(2-phenylethyl)benzenesulfonamide
CID 112822931
3,4-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide
CID 90588560
4-methoxy-3,5-dimethyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzenesulfonamide
CID 112823116
1-(3,4-dimethylphenyl)-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea
CID 71808079
N-[2-[di(propan-2-yl)amino]ethyl]-4-methoxy-3,5-dimethylbenzenesulfonamide
CID 112823042
4-methoxy-3,5-dimethyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide
CID 90613986

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3,5-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-3,5-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide (CID 90588740) is 4-methoxy-3,5-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3,5-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-3,5-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide is COc1c(C)cc(S(=O)(=O)NCCn2ccc(C(F)(F)F)n2)cc1C.
What is the InChIKey of 4-methoxy-3,5-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide?
The InChIKey is RAODYPVVIOFAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O3S/c1-10-8-12(9-11(2)14(10)24-3)25(22,23)19-5-7-21-6-4-13(20-21)15(16,17)18/h4,6,8-9,19H,5,7H2,1-3H3.
What are the key properties of 4-methoxy-3,5-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide?
4-methoxy-3,5-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide has a molecular weight of 377.39 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3,5-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 90588740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).