N-[4-chloro-2-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-fluorobenzenesulfonamide

C25H19ClF2N4O4S — CID 71534786

IUPACN-[4-chloro-2-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-fluorobenzenesulfonamide
SMILESO=C(c1ccc2ncc(N3CCOCC3)nc2c1)c1c(Cl)ccc(NS(=O)(=O)c2cccc(F)c2)c1F
InChIInChI=1S/C25H19ClF2N4O4S/c26-18-5-7-20(31-37(34,35)17-3-1-2-16(27)13-17)24(28)23(18)25(33)15-4-6-19-21(12-15)30-22(14-29-19)32-8-10-36-11-9-32/h1-7,12-14,31H,8-11H2
InChIKeyDOTCQRQMUUXYHP-UHFFFAOYSA-N
MW544.97 g/mol
LogP4.43
Rot. Bonds6

About N-[4-chloro-2-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-fluorobenzenesulfonamide

N-[4-chloro-2-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-fluorobenzenesulfonamide (PubChem CID 71534786) has the molecular formula C25H19ClF2N4O4S and a molecular weight of 544.97 g/mol. Its IUPAC name is N-[4-chloro-2-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-chloro-2-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-fluorobenzenesulfonamide
PubChem CID71534786
Molecular FormulaC25H19ClF2N4O4S
Molecular Weight544.97 g/mol
Exact Mass544.08
IUPAC NameN-[4-chloro-2-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-fluorobenzenesulfonamide
SMILESO=C(c1ccc2ncc(N3CCOCC3)nc2c1)c1c(Cl)ccc(NS(=O)(=O)c2cccc(F)c2)c1F
InChIInChI=1S/C25H19ClF2N4O4S/c26-18-5-7-20(31-37(34,35)17-3-1-2-16(27)13-17)24(28)23(18)25(33)15-4-6-19-21(12-15)30-22(14-29-19)32-8-10-36-11-9-32/h1-7,12-14,31H,8-11H2
InChIKeyDOTCQRQMUUXYHP-UHFFFAOYSA-N
XLogP4.43
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.97
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-fluorobenzenesulfonamide?
The IUPAC name of N-[4-chloro-2-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-fluorobenzenesulfonamide (CID 71534786) is N-[4-chloro-2-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-[4-chloro-2-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-fluorobenzenesulfonamide?
The canonical SMILES for N-[4-chloro-2-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-fluorobenzenesulfonamide is O=C(c1ccc2ncc(N3CCOCC3)nc2c1)c1c(Cl)ccc(NS(=O)(=O)c2cccc(F)c2)c1F.
What is the InChIKey of N-[4-chloro-2-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-fluorobenzenesulfonamide?
The InChIKey is DOTCQRQMUUXYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClF2N4O4S/c26-18-5-7-20(31-37(34,35)17-3-1-2-16(27)13-17)24(28)23(18)25(33)15-4-6-19-21(12-15)30-22(14-29-19)32-8-10-36-11-9-32/h1-7,12-14,31H,8-11H2.
What are the key properties of N-[4-chloro-2-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-fluorobenzenesulfonamide?
N-[4-chloro-2-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-fluorobenzenesulfonamide has a molecular weight of 544.97 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 71534786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).