5-[6-chloro-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide

C19H14ClF3N4O3S — CID 162654796

IUPAC5-[6-chloro-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cncc(-c2cnc(Cl)c(NS(=O)(=O)c3ccccc3C(F)(F)F)c2)c1
InChIInChI=1S/C19H14ClF3N4O3S/c1-24-18(28)13-6-11(8-25-9-13)12-7-15(17(20)26-10-12)27-31(29,30)16-5-3-2-4-14(16)19(21,22)23/h2-10,27H,1H3,(H,24,28)
InChIKeyDYXLDBCPAGCSCS-UHFFFAOYSA-N
MW470.86 g/mol
LogP3.98
Rot. Bonds5

About 5-[6-chloro-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide

5-[6-chloro-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide (PubChem CID 162654796) has the molecular formula C19H14ClF3N4O3S and a molecular weight of 470.86 g/mol. Its IUPAC name is 5-[6-chloro-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[6-chloro-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide
PubChem CID162654796
Molecular FormulaC19H14ClF3N4O3S
Molecular Weight470.86 g/mol
Exact Mass470.04
IUPAC Name5-[6-chloro-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cncc(-c2cnc(Cl)c(NS(=O)(=O)c3ccccc3C(F)(F)F)c2)c1
InChIInChI=1S/C19H14ClF3N4O3S/c1-24-18(28)13-6-11(8-25-9-13)12-7-15(17(20)26-10-12)27-31(29,30)16-5-3-2-4-14(16)19(21,22)23/h2-10,27H,1H3,(H,24,28)
InChIKeyDYXLDBCPAGCSCS-UHFFFAOYSA-N
XLogP3.98
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.86
LogP ≤ 53.98
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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Frequently Asked Questions

What is the IUPAC name of 5-[6-chloro-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 5-[6-chloro-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide (CID 162654796) is 5-[6-chloro-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-[6-chloro-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 5-[6-chloro-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide is CNC(=O)c1cncc(-c2cnc(Cl)c(NS(=O)(=O)c3ccccc3C(F)(F)F)c2)c1.
What is the InChIKey of 5-[6-chloro-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide?
The InChIKey is DYXLDBCPAGCSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF3N4O3S/c1-24-18(28)13-6-11(8-25-9-13)12-7-15(17(20)26-10-12)27-31(29,30)16-5-3-2-4-14(16)19(21,22)23/h2-10,27H,1H3,(H,24,28).
What are the key properties of 5-[6-chloro-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide?
5-[6-chloro-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide has a molecular weight of 470.86 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-chloro-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 162654796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).