N-[4-chloro-2-fluoro-3-(3-pyridin-3-ylquinoxaline-6-carbonyl)phenyl]cyclopropanesulfonamide

C23H16ClFN4O3S — CID 71537904

IUPACN-[4-chloro-2-fluoro-3-(3-pyridin-3-ylquinoxaline-6-carbonyl)phenyl]cyclopropanesulfonamide
SMILESO=C(c1ccc2ncc(-c3cccnc3)nc2c1)c1c(Cl)ccc(NS(=O)(=O)C2CC2)c1F
InChIInChI=1S/C23H16ClFN4O3S/c24-16-6-8-18(29-33(31,32)15-4-5-15)22(25)21(16)23(30)13-3-7-17-19(10-13)28-20(12-27-17)14-2-1-9-26-11-14/h1-3,6-12,15,29H,4-5H2
InChIKeyHQTWWJLLTUKEDJ-UHFFFAOYSA-N
MW482.92 g/mol
LogP4.62
Rot. Bonds6

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

N-[4-chloro-2-fluoro-3-(3-pyridin-3-ylquinoxaline-6-carbonyl)phenyl]cyclopropanesulfonamide (PubChem CID 71537904) has the molecular formula C23H16ClFN4O3S and a molecular weight of 482.92 g/mol. Its IUPAC name is N-[4-chloro-2-fluoro-3-(3-pyridin-3-ylquinoxaline-6-carbonyl)phenyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[4-chloro-2-fluoro-3-(3-pyridin-3-ylquinoxaline-6-carbonyl)phenyl]cyclopropanesulfonamide
PubChem CID71537904
Molecular FormulaC23H16ClFN4O3S
Molecular Weight482.92 g/mol
Exact Mass482.06
IUPAC NameN-[4-chloro-2-fluoro-3-(3-pyridin-3-ylquinoxaline-6-carbonyl)phenyl]cyclopropanesulfonamide
SMILESO=C(c1ccc2ncc(-c3cccnc3)nc2c1)c1c(Cl)ccc(NS(=O)(=O)C2CC2)c1F
InChIInChI=1S/C23H16ClFN4O3S/c24-16-6-8-18(29-33(31,32)15-4-5-15)22(25)21(16)23(30)13-3-7-17-19(10-13)28-20(12-27-17)14-2-1-9-26-11-14/h1-3,6-12,15,29H,4-5H2
InChIKeyHQTWWJLLTUKEDJ-UHFFFAOYSA-N
XLogP4.62
TPSA101.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.92
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-fluoro-3-(3-pyridin-3-ylquinoxaline-6-carbonyl)phenyl]cyclopropanesulfonamide?
The IUPAC name of N-[4-chloro-2-fluoro-3-(3-pyridin-3-ylquinoxaline-6-carbonyl)phenyl]cyclopropanesulfonamide (CID 71537904) is N-[4-chloro-2-fluoro-3-(3-pyridin-3-ylquinoxaline-6-carbonyl)phenyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[4-chloro-2-fluoro-3-(3-pyridin-3-ylquinoxaline-6-carbonyl)phenyl]cyclopropanesulfonamide?
The canonical SMILES for N-[4-chloro-2-fluoro-3-(3-pyridin-3-ylquinoxaline-6-carbonyl)phenyl]cyclopropanesulfonamide is O=C(c1ccc2ncc(-c3cccnc3)nc2c1)c1c(Cl)ccc(NS(=O)(=O)C2CC2)c1F.
What is the InChIKey of N-[4-chloro-2-fluoro-3-(3-pyridin-3-ylquinoxaline-6-carbonyl)phenyl]cyclopropanesulfonamide?
The InChIKey is HQTWWJLLTUKEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClFN4O3S/c24-16-6-8-18(29-33(31,32)15-4-5-15)22(25)21(16)23(30)13-3-7-17-19(10-13)28-20(12-27-17)14-2-1-9-26-11-14/h1-3,6-12,15,29H,4-5H2.
What are the key properties of N-[4-chloro-2-fluoro-3-(3-pyridin-3-ylquinoxaline-6-carbonyl)phenyl]cyclopropanesulfonamide?
N-[4-chloro-2-fluoro-3-(3-pyridin-3-ylquinoxaline-6-carbonyl)phenyl]cyclopropanesulfonamide has a molecular weight of 482.92 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-fluoro-3-(3-pyridin-3-ylquinoxaline-6-carbonyl)phenyl]cyclopropanesulfonamide is sourced from PubChem (CID 71537904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).