5-[1-(2-methoxyethyl)imidazol-4-yl]-2-methyl-6-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-3-sulfonamide

C20H22F3N5O3S — CID 170343392

IUPAC5-[1-(2-methoxyethyl)imidazol-4-yl]-2-methyl-6-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-3-sulfonamide
SMILESCOCCn1cnc(-c2cc(S(N)(=O)=O)c(C)nc2NCc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C20H22F3N5O3S/c1-13-18(32(24,29)30)9-16(17-11-28(12-26-17)7-8-31-2)19(27-13)25-10-14-3-5-15(6-4-14)20(21,22)23/h3-6,9,11-12H,7-8,10H2,1-2H3,(H,25,27)(H2,24,29,30)
InChIKeyCERKOPGRLJQWNC-UHFFFAOYSA-N
MW469.49 g/mol
LogP3.18
Rot. Bonds8

About 5-[1-(2-methoxyethyl)imidazol-4-yl]-2-methyl-6-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-3-sulfonamide

5-[1-(2-methoxyethyl)imidazol-4-yl]-2-methyl-6-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-3-sulfonamide (PubChem CID 170343392) has the molecular formula C20H22F3N5O3S and a molecular weight of 469.49 g/mol. Its IUPAC name is 5-[1-(2-methoxyethyl)imidazol-4-yl]-2-methyl-6-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-[1-(2-methoxyethyl)imidazol-4-yl]-2-methyl-6-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-3-sulfonamide
PubChem CID170343392
Molecular FormulaC20H22F3N5O3S
Molecular Weight469.49 g/mol
Exact Mass469.14
IUPAC Name5-[1-(2-methoxyethyl)imidazol-4-yl]-2-methyl-6-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-3-sulfonamide
SMILESCOCCn1cnc(-c2cc(S(N)(=O)=O)c(C)nc2NCc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C20H22F3N5O3S/c1-13-18(32(24,29)30)9-16(17-11-28(12-26-17)7-8-31-2)19(27-13)25-10-14-3-5-15(6-4-14)20(21,22)23/h3-6,9,11-12H,7-8,10H2,1-2H3,(H,25,27)(H2,24,29,30)
InChIKeyCERKOPGRLJQWNC-UHFFFAOYSA-N
XLogP3.18
TPSA112.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.49
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[1-(2-methoxyethyl)imidazol-4-yl]-1-[4-(trifluoromethyl)phenyl]indol-5-yl]prop-2-enamide
CID 171514620
1-(2-methoxyethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine
CID 106570701
3,6-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazin-2-amine
CID 60699153
2-(1-methylimidazol-4-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 163393543
2-[(4-methoxyphenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methylamino]benzenesulfonamide
CID 175749223
5-methyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,3-diamine
CID 66281298
2-(trideuteriomethyl)-4-[[4-(trifluoromethyl)phenyl]methylamino]benzenesulfonamide
CID 175749214
3-bromo-4-methyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,5-diamine
CID 104506785
2-[2-[2-(methylamino)ethoxy]ethoxy]ethanamine;3-(1-methylimidazol-4-yl)-4-[[4-(trifluoromethyl)phenyl]methylamino]benzaldehyde
CID 163393345
5-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
CID 114600577
2-(1-bromo-2,2,2-trifluoroethyl)-5-[[4-(trifluoromethyl)phenyl]methylamino]benzenesulfonamide
CID 164595988
4-[[[5-iodo-2-[[3-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]methyl]benzenesulfonamide
CID 146271174

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-methoxyethyl)imidazol-4-yl]-2-methyl-6-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-3-sulfonamide?
The IUPAC name of 5-[1-(2-methoxyethyl)imidazol-4-yl]-2-methyl-6-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-3-sulfonamide (CID 170343392) is 5-[1-(2-methoxyethyl)imidazol-4-yl]-2-methyl-6-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-3-sulfonamide.
What is the SMILES notation for 5-[1-(2-methoxyethyl)imidazol-4-yl]-2-methyl-6-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-3-sulfonamide?
The canonical SMILES for 5-[1-(2-methoxyethyl)imidazol-4-yl]-2-methyl-6-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-3-sulfonamide is COCCn1cnc(-c2cc(S(N)(=O)=O)c(C)nc2NCc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 5-[1-(2-methoxyethyl)imidazol-4-yl]-2-methyl-6-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-3-sulfonamide?
The InChIKey is CERKOPGRLJQWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N5O3S/c1-13-18(32(24,29)30)9-16(17-11-28(12-26-17)7-8-31-2)19(27-13)25-10-14-3-5-15(6-4-14)20(21,22)23/h3-6,9,11-12H,7-8,10H2,1-2H3,(H,25,27)(H2,24,29,30).
What are the key properties of 5-[1-(2-methoxyethyl)imidazol-4-yl]-2-methyl-6-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-3-sulfonamide?
5-[1-(2-methoxyethyl)imidazol-4-yl]-2-methyl-6-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-3-sulfonamide has a molecular weight of 469.49 g/mol, XLogP of 3.18, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-methoxyethyl)imidazol-4-yl]-2-methyl-6-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-3-sulfonamide is sourced from PubChem (CID 170343392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).