N-[3-(benzenesulfonamido)-4-methylphenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C21H18F3N3O4S — CID 55705667

IUPACN-[3-(benzenesulfonamido)-4-methylphenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(OCC(F)(F)F)nc2)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C21H18F3N3O4S/c1-14-7-9-16(11-18(14)27-32(29,30)17-5-3-2-4-6-17)26-20(28)15-8-10-19(25-12-15)31-13-21(22,23)24/h2-12,27H,13H2,1H3,(H,26,28)
InChIKeyMRGIWOZGZRRCCW-UHFFFAOYSA-N
MW465.45 g/mol
LogP4.38
Rot. Bonds7

About N-[3-(benzenesulfonamido)-4-methylphenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

N-[3-(benzenesulfonamido)-4-methylphenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 55705667) has the molecular formula C21H18F3N3O4S and a molecular weight of 465.45 g/mol. Its IUPAC name is N-[3-(benzenesulfonamido)-4-methylphenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(benzenesulfonamido)-4-methylphenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID55705667
Molecular FormulaC21H18F3N3O4S
Molecular Weight465.45 g/mol
Exact Mass465.10
IUPAC NameN-[3-(benzenesulfonamido)-4-methylphenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(OCC(F)(F)F)nc2)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C21H18F3N3O4S/c1-14-7-9-16(11-18(14)27-32(29,30)17-5-3-2-4-6-17)26-20(28)15-8-10-19(25-12-15)31-13-21(22,23)24/h2-12,27H,13H2,1H3,(H,26,28)
InChIKeyMRGIWOZGZRRCCW-UHFFFAOYSA-N
XLogP4.38
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.45
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(methanesulfonamido)-4-methoxyphenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 24673292
N-[3-(tert-butylsulfamoyl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 46698790
N-[3-(benzenesulfonamido)-4-methylphenyl]-4-methylbenzamide
CID 55705717
N-[3-(benzenesulfonamido)-4-methylphenyl]-4-butoxybenzamide
CID 55705690
N-[3-(benzenesulfonamido)-4-methylphenyl]-1-methylpyrazole-4-carboxamide
CID 86991515
6-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 55509070
N-pyridin-4-yl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 51323162
3-(benzylsulfamoyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide
CID 55712137
N-[3-(propylcarbamoyl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55705978
N-[3-(benzenesulfonamido)-4-methylphenyl]-3-chloro-4,5-dimethoxybenzamide
CID 46465633
N-[3-(benzenesulfonamido)-4-methylphenyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 55705614
N-(1,3-benzodioxol-5-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 17472215

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzenesulfonamido)-4-methylphenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of N-[3-(benzenesulfonamido)-4-methylphenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 55705667) is N-[3-(benzenesulfonamido)-4-methylphenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(benzenesulfonamido)-4-methylphenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[3-(benzenesulfonamido)-4-methylphenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is Cc1ccc(NC(=O)c2ccc(OCC(F)(F)F)nc2)cc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[3-(benzenesulfonamido)-4-methylphenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is MRGIWOZGZRRCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O4S/c1-14-7-9-16(11-18(14)27-32(29,30)17-5-3-2-4-6-17)26-20(28)15-8-10-19(25-12-15)31-13-21(22,23)24/h2-12,27H,13H2,1H3,(H,26,28).
What are the key properties of N-[3-(benzenesulfonamido)-4-methylphenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
N-[3-(benzenesulfonamido)-4-methylphenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 465.45 g/mol, XLogP of 4.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzenesulfonamido)-4-methylphenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 55705667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).