N-[4-chloro-2-fluoro-3-(3-pyridin-3-ylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide

C23H18ClFN4O3S — CID 71537903

IUPACN-[4-chloro-2-fluoro-3-(3-pyridin-3-ylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)c2ccc3ncc(-c4cccnc4)nc3c2)c1F
InChIInChI=1S/C23H18ClFN4O3S/c1-2-10-33(31,32)29-18-8-6-16(24)21(22(18)25)23(30)14-5-7-17-19(11-14)28-20(13-27-17)15-4-3-9-26-12-15/h3-9,11-13,29H,2,10H2,1H3
InChIKeySIXPVVVUBJUAQS-UHFFFAOYSA-N
MW484.94 g/mol
LogP4.87
Rot. Bonds7

About N-[4-chloro-2-fluoro-3-(3-pyridin-3-ylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide

N-[4-chloro-2-fluoro-3-(3-pyridin-3-ylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide (PubChem CID 71537903) has the molecular formula C23H18ClFN4O3S and a molecular weight of 484.94 g/mol. Its IUPAC name is N-[4-chloro-2-fluoro-3-(3-pyridin-3-ylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-chloro-2-fluoro-3-(3-pyridin-3-ylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide
PubChem CID71537903
Molecular FormulaC23H18ClFN4O3S
Molecular Weight484.94 g/mol
Exact Mass484.08
IUPAC NameN-[4-chloro-2-fluoro-3-(3-pyridin-3-ylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)c2ccc3ncc(-c4cccnc4)nc3c2)c1F
InChIInChI=1S/C23H18ClFN4O3S/c1-2-10-33(31,32)29-18-8-6-16(24)21(22(18)25)23(30)14-5-7-17-19(11-14)28-20(13-27-17)15-4-3-9-26-12-15/h3-9,11-13,29H,2,10H2,1H3
InChIKeySIXPVVVUBJUAQS-UHFFFAOYSA-N
XLogP4.87
TPSA101.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.94
LogP ≤ 54.87
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]propane-1-sulfonamide?
The IUPAC name of N-[4-chloro-2-fluoro-3-(3-pyridin-3-ylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide (CID 71537903) is N-[4-chloro-2-fluoro-3-(3-pyridin-3-ylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[4-chloro-2-fluoro-3-(3-pyridin-3-ylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[4-chloro-2-fluoro-3-(3-pyridin-3-ylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)c2ccc3ncc(-c4cccnc4)nc3c2)c1F.
What is the InChIKey of N-[4-chloro-2-fluoro-3-(3-pyridin-3-ylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide?
The InChIKey is SIXPVVVUBJUAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClFN4O3S/c1-2-10-33(31,32)29-18-8-6-16(24)21(22(18)25)23(30)14-5-7-17-19(11-14)28-20(13-27-17)15-4-3-9-26-12-15/h3-9,11-13,29H,2,10H2,1H3.
What are the key properties of N-[4-chloro-2-fluoro-3-(3-pyridin-3-ylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide?
N-[4-chloro-2-fluoro-3-(3-pyridin-3-ylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide has a molecular weight of 484.94 g/mol, XLogP of 4.87, 7 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]propane-1-sulfonamide is sourced from PubChem (CID 71537903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).