N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]-4-(methanesulfonamido)benzamide

C21H17F4N3O3S — CID 71144622

IUPACN-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]-4-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)NC(c2ccc(C(F)(F)F)cc2)c2ncccc2F)cc1
InChIInChI=1S/C21H17F4N3O3S/c1-32(30,31)28-16-10-6-14(7-11-16)20(29)27-18(19-17(22)3-2-12-26-19)13-4-8-15(9-5-13)21(23,24)25/h2-12,18,28H,1H3,(H,27,29)
InChIKeyBYMZZOLLZFEVMT-UHFFFAOYSA-N
MW467.44 g/mol
LogP4.13
Rot. Bonds6

About N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]-4-(methanesulfonamido)benzamide

N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]-4-(methanesulfonamido)benzamide (PubChem CID 71144622) has the molecular formula C21H17F4N3O3S and a molecular weight of 467.44 g/mol. Its IUPAC name is N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]-4-(methanesulfonamido)benzamide.

Molecular Properties

Compound NameN-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]-4-(methanesulfonamido)benzamide
PubChem CID71144622
Molecular FormulaC21H17F4N3O3S
Molecular Weight467.44 g/mol
Exact Mass467.09
IUPAC NameN-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]-4-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)NC(c2ccc(C(F)(F)F)cc2)c2ncccc2F)cc1
InChIInChI=1S/C21H17F4N3O3S/c1-32(30,31)28-16-10-6-14(7-11-16)20(29)27-18(19-17(22)3-2-12-26-19)13-4-8-15(9-5-13)21(23,24)25/h2-12,18,28H,1H3,(H,27,29)
InChIKeyBYMZZOLLZFEVMT-UHFFFAOYSA-N
XLogP4.13
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.44
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(S)-(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]-2-methylpyridine-4-carboxamide
CID 71144025
N-[(S)-(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 71144093
4-chloro-N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide
CID 71144078
2-[5-[[(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]carbamoyl]-2-oxo-1-pyridinyl]acetic acid
CID 71144576
N-[(S)-(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]-2-oxo-1H-quinoline-7-carboxamide
CID 71144658
3-cyano-N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 71144558
4-methyl-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]benzamide
CID 123503906
N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridine-4-carboxamide
CID 89310572
[7-[[(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]carbamoyl]quinolin-4-yl] 2,2,2-trifluoroacetate
CID 90217040
N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]-4-oxo-1H-quinoline-7-carboxamide;2,2,2-trifluoroacetic acid
CID 90217041
N-[(S)-[4-(fluoromethyl)phenyl]-(3-fluoro-2-pyridinyl)methyl]-3-methylsulfonylbenzamide
CID 90124825
N-[(3-methoxy-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]quinoline-7-carboxamide
CID 71144067

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]-4-(methanesulfonamido)benzamide?
The IUPAC name of N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]-4-(methanesulfonamido)benzamide (CID 71144622) is N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]-4-(methanesulfonamido)benzamide.
What is the SMILES notation for N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]-4-(methanesulfonamido)benzamide?
The canonical SMILES for N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]-4-(methanesulfonamido)benzamide is CS(=O)(=O)Nc1ccc(C(=O)NC(c2ccc(C(F)(F)F)cc2)c2ncccc2F)cc1.
What is the InChIKey of N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]-4-(methanesulfonamido)benzamide?
The InChIKey is BYMZZOLLZFEVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F4N3O3S/c1-32(30,31)28-16-10-6-14(7-11-16)20(29)27-18(19-17(22)3-2-12-26-19)13-4-8-15(9-5-13)21(23,24)25/h2-12,18,28H,1H3,(H,27,29).
What are the key properties of N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]-4-(methanesulfonamido)benzamide?
N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]-4-(methanesulfonamido)benzamide has a molecular weight of 467.44 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]-4-(methanesulfonamido)benzamide is sourced from PubChem (CID 71144622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).