2-chloro-N-(4-chloro-2-fluorophenyl)-5-[(2S)-2-(trifluoromethylsulfonylamino)propoxy]pyridine-3-carboxamide

C16H13Cl2F4N3O4S — CID 175958012

IUPAC2-chloro-N-(4-chloro-2-fluorophenyl)-5-[(2S)-2-(trifluoromethylsulfonylamino)propoxy]pyridine-3-carboxamide
SMILESC[C@@H](COc1cnc(Cl)c(C(=O)Nc2ccc(Cl)cc2F)c1)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C16H13Cl2F4N3O4S/c1-8(25-30(27,28)16(20,21)22)7-29-10-5-11(14(18)23-6-10)15(26)24-13-3-2-9(17)4-12(13)19/h2-6,8,25H,7H2,1H3,(H,24,26)/t8-/m0/s1
InChIKeyMGWUJWOAQKZPMO-QMMMGPOBSA-N
MW490.26 g/mol
LogP3.99
Rot. Bonds7

About 2-chloro-N-(4-chloro-2-fluorophenyl)-5-[(2S)-2-(trifluoromethylsulfonylamino)propoxy]pyridine-3-carboxamide

2-chloro-N-(4-chloro-2-fluorophenyl)-5-[(2S)-2-(trifluoromethylsulfonylamino)propoxy]pyridine-3-carboxamide (PubChem CID 175958012) has the molecular formula C16H13Cl2F4N3O4S and a molecular weight of 490.26 g/mol. Its IUPAC name is 2-chloro-N-(4-chloro-2-fluorophenyl)-5-[(2S)-2-(trifluoromethylsulfonylamino)propoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(4-chloro-2-fluorophenyl)-5-[(2S)-2-(trifluoromethylsulfonylamino)propoxy]pyridine-3-carboxamide
PubChem CID175958012
Molecular FormulaC16H13Cl2F4N3O4S
Molecular Weight490.26 g/mol
Exact Mass488.99
IUPAC Name2-chloro-N-(4-chloro-2-fluorophenyl)-5-[(2S)-2-(trifluoromethylsulfonylamino)propoxy]pyridine-3-carboxamide
SMILESC[C@@H](COc1cnc(Cl)c(C(=O)Nc2ccc(Cl)cc2F)c1)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C16H13Cl2F4N3O4S/c1-8(25-30(27,28)16(20,21)22)7-29-10-5-11(14(18)23-6-10)15(26)24-13-3-2-9(17)4-12(13)19/h2-6,8,25H,7H2,1H3,(H,24,26)/t8-/m0/s1
InChIKeyMGWUJWOAQKZPMO-QMMMGPOBSA-N
XLogP3.99
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.26
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-1-[(6-chloro-5-cyano-3-pyridinyl)oxy]propan-2-yl]-1,1,1-trifluoromethanesulfonamide
CID 175633075
2-methyl-N-propan-2-yl-5-[(2S)-2-(trifluoromethylsulfonylamino)propoxy]pyridine-3-carboxamide
CID 175958010
5-chloro-2-[2-(trifluoromethylsulfonylamino)propoxy]pyridine-4-carboxylic acid
CID 170338068
5-amino-N-(4-chloro-2-fluorophenyl)-2-methylpyridine-3-carboxamide
CID 61111163
N-(4-chloro-2-fluorophenyl)-4-ethoxybenzamide
CID 897315
2-amino-N-(4-chloro-2-fluorophenyl)-3-fluoropyridine-4-carboxamide
CID 105385883
N-(4-chloro-2-fluorophenyl)-2-fluoro-5-methylbenzamide
CID 55083427
N-(4-chloro-2-fluorophenyl)-5-methoxy-1H-indazole-7-carboxamide
CID 71694719
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782627
N-(4-chloro-2-fluorophenyl)-2-fluoropyridine-3-carboxamide
CID 107362716
N-(4-chloro-2-fluorophenyl)-2-(trifluoromethylsulfanyl)benzamide
CID 47026174
2-chloro-5-fluoro-N-(2-fluoro-5-methylphenyl)pyridine-3-carboxamide
CID 113347090

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chloro-2-fluorophenyl)-5-[(2S)-2-(trifluoromethylsulfonylamino)propoxy]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(4-chloro-2-fluorophenyl)-5-[(2S)-2-(trifluoromethylsulfonylamino)propoxy]pyridine-3-carboxamide (CID 175958012) is 2-chloro-N-(4-chloro-2-fluorophenyl)-5-[(2S)-2-(trifluoromethylsulfonylamino)propoxy]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(4-chloro-2-fluorophenyl)-5-[(2S)-2-(trifluoromethylsulfonylamino)propoxy]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(4-chloro-2-fluorophenyl)-5-[(2S)-2-(trifluoromethylsulfonylamino)propoxy]pyridine-3-carboxamide is C[C@@H](COc1cnc(Cl)c(C(=O)Nc2ccc(Cl)cc2F)c1)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 2-chloro-N-(4-chloro-2-fluorophenyl)-5-[(2S)-2-(trifluoromethylsulfonylamino)propoxy]pyridine-3-carboxamide?
The InChIKey is MGWUJWOAQKZPMO-QMMMGPOBSA-N. The full InChI is InChI=1S/C16H13Cl2F4N3O4S/c1-8(25-30(27,28)16(20,21)22)7-29-10-5-11(14(18)23-6-10)15(26)24-13-3-2-9(17)4-12(13)19/h2-6,8,25H,7H2,1H3,(H,24,26)/t8-/m0/s1.
What are the key properties of 2-chloro-N-(4-chloro-2-fluorophenyl)-5-[(2S)-2-(trifluoromethylsulfonylamino)propoxy]pyridine-3-carboxamide?
2-chloro-N-(4-chloro-2-fluorophenyl)-5-[(2S)-2-(trifluoromethylsulfonylamino)propoxy]pyridine-3-carboxamide has a molecular weight of 490.26 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-chloro-2-fluorophenyl)-5-[(2S)-2-(trifluoromethylsulfonylamino)propoxy]pyridine-3-carboxamide is sourced from PubChem (CID 175958012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).