N-[2-chloro-5-(3-fluoroquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;ethane

C21H17ClF2N4O2S — CID 143915344

IUPACN-[2-chloro-5-(3-fluoroquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;ethane
SMILESCC.O=S(=O)(Nc1cc(-c2ccc3ncc(F)nc3c2)cnc1Cl)c1ccc(F)cc1
InChIInChI=1S/C19H11ClF2N4O2S.C2H6/c20-19-17(26-29(27,28)14-4-2-13(21)3-5-14)8-12(9-24-19)11-1-6-15-16(7-11)25-18(22)10-23-15;1-2/h1-10,26H;1-2H3
InChIKeyNUYRZLRXCLWLTD-UHFFFAOYSA-N
MW462.91 g/mol
LogP5.45
Rot. Bonds4

About N-[2-chloro-5-(3-fluoroquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;ethane

N-[2-chloro-5-(3-fluoroquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;ethane (PubChem CID 143915344) has the molecular formula C21H17ClF2N4O2S and a molecular weight of 462.91 g/mol. Its IUPAC name is N-[2-chloro-5-(3-fluoroquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;ethane.

Molecular Properties

Compound NameN-[2-chloro-5-(3-fluoroquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;ethane
PubChem CID143915344
Molecular FormulaC21H17ClF2N4O2S
Molecular Weight462.91 g/mol
Exact Mass462.07
IUPAC NameN-[2-chloro-5-(3-fluoroquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;ethane
SMILESCC.O=S(=O)(Nc1cc(-c2ccc3ncc(F)nc3c2)cnc1Cl)c1ccc(F)cc1
InChIInChI=1S/C19H11ClF2N4O2S.C2H6/c20-19-17(26-29(27,28)14-4-2-13(21)3-5-14)8-12(9-24-19)11-1-6-15-16(7-11)25-18(22)10-23-15;1-2/h1-10,26H;1-2H3
InChIKeyNUYRZLRXCLWLTD-UHFFFAOYSA-N
XLogP5.45
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.91
LogP ≤ 55.45
H-Bond Donors ≤ 51
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 N-[2-chloro-5-(3-fluoroquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;ethane?
The IUPAC name of N-[2-chloro-5-(3-fluoroquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;ethane (CID 143915344) is N-[2-chloro-5-(3-fluoroquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;ethane.
What is the SMILES notation for N-[2-chloro-5-(3-fluoroquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;ethane?
The canonical SMILES for N-[2-chloro-5-(3-fluoroquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;ethane is CC.O=S(=O)(Nc1cc(-c2ccc3ncc(F)nc3c2)cnc1Cl)c1ccc(F)cc1.
What is the InChIKey of N-[2-chloro-5-(3-fluoroquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;ethane?
The InChIKey is NUYRZLRXCLWLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClF2N4O2S.C2H6/c20-19-17(26-29(27,28)14-4-2-13(21)3-5-14)8-12(9-24-19)11-1-6-15-16(7-11)25-18(22)10-23-15;1-2/h1-10,26H;1-2H3.
What are the key properties of N-[2-chloro-5-(3-fluoroquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;ethane?
N-[2-chloro-5-(3-fluoroquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;ethane has a molecular weight of 462.91 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(3-fluoroquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;ethane is sourced from PubChem (CID 143915344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).