5-chloro-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C18H17ClF3N3O5S — CID 55792224

IUPAC5-chloro-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)c1cnc(OCC(F)(F)F)c(Cl)c1
InChIInChI=1S/C18H17ClF3N3O5S/c19-13-7-11(9-23-17(13)30-10-18(20,21)22)16(27)24-14-8-12(3-4-15(14)26)31(28,29)25-5-1-2-6-25/h3-4,7-9,26H,1-2,5-6,10H2,(H,24,27)
InChIKeyVQGALGWCCQQODA-UHFFFAOYSA-N
MW479.86 g/mol
LogP3.42
Rot. Bonds6

About 5-chloro-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

5-chloro-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 55792224) has the molecular formula C18H17ClF3N3O5S and a molecular weight of 479.86 g/mol. Its IUPAC name is 5-chloro-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID55792224
Molecular FormulaC18H17ClF3N3O5S
Molecular Weight479.86 g/mol
Exact Mass479.05
IUPAC Name5-chloro-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)c1cnc(OCC(F)(F)F)c(Cl)c1
InChIInChI=1S/C18H17ClF3N3O5S/c19-13-7-11(9-23-17(13)30-10-18(20,21)22)16(27)24-14-8-12(3-4-15(14)26)31(28,29)25-5-1-2-6-25/h3-4,7-9,26H,1-2,5-6,10H2,(H,24,27)
InChIKeyVQGALGWCCQQODA-UHFFFAOYSA-N
XLogP3.42
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.86
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-[5-piperidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 25498374
4-methyl-N-[5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 4800649
5-chloro-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55801663
2-chloro-5-pyrrolidin-1-ylsulfonyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide
CID 55712190
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3,5-dimethoxybenzamide
CID 27672633
7-chloro-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-1,3-benzodioxole-5-carboxamide
CID 29265060
2-ethoxy-N-[5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide
CID 4880424
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 27672653
2,3-dichloro-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 18108806
4-(azepan-1-ylsulfonyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide
CID 4843950
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 27672665
3-piperidin-1-ylsulfonyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 38829121

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 55792224) is 5-chloro-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)c1cnc(OCC(F)(F)F)c(Cl)c1.
What is the InChIKey of 5-chloro-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is VQGALGWCCQQODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF3N3O5S/c19-13-7-11(9-23-17(13)30-10-18(20,21)22)16(27)24-14-8-12(3-4-15(14)26)31(28,29)25-5-1-2-6-25/h3-4,7-9,26H,1-2,5-6,10H2,(H,24,27).
What are the key properties of 5-chloro-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
5-chloro-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 479.86 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 55792224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).