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

C19H17ClFN3O3S — CID 71268635

IUPACN-[2-chloro-4-fluoro-3-(3-methylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2ccc3ncc(C)nc3c2)c1Cl
InChIInChI=1S/C19H17ClFN3O3S/c1-3-8-28(26,27)24-15-7-5-13(21)17(18(15)20)19(25)12-4-6-14-16(9-12)23-11(2)10-22-14/h4-7,9-10,24H,3,8H2,1-2H3
InChIKeyZIFNCXJFECADIU-UHFFFAOYSA-N
MW421.88 g/mol
LogP4.11
Rot. Bonds6

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

N-[2-chloro-4-fluoro-3-(3-methylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide (PubChem CID 71268635) has the molecular formula C19H17ClFN3O3S and a molecular weight of 421.88 g/mol. Its IUPAC name is N-[2-chloro-4-fluoro-3-(3-methylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-chloro-4-fluoro-3-(3-methylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide
PubChem CID71268635
Molecular FormulaC19H17ClFN3O3S
Molecular Weight421.88 g/mol
Exact Mass421.07
IUPAC NameN-[2-chloro-4-fluoro-3-(3-methylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2ccc3ncc(C)nc3c2)c1Cl
InChIInChI=1S/C19H17ClFN3O3S/c1-3-8-28(26,27)24-15-7-5-13(21)17(18(15)20)19(25)12-4-6-14-16(9-12)23-11(2)10-22-14/h4-7,9-10,24H,3,8H2,1-2H3
InChIKeyZIFNCXJFECADIU-UHFFFAOYSA-N
XLogP4.11
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.88
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-fluoro-3-(3-methylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide?
The IUPAC name of N-[2-chloro-4-fluoro-3-(3-methylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide (CID 71268635) is N-[2-chloro-4-fluoro-3-(3-methylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-chloro-4-fluoro-3-(3-methylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-chloro-4-fluoro-3-(3-methylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2ccc3ncc(C)nc3c2)c1Cl.
What is the InChIKey of N-[2-chloro-4-fluoro-3-(3-methylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide?
The InChIKey is ZIFNCXJFECADIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3O3S/c1-3-8-28(26,27)24-15-7-5-13(21)17(18(15)20)19(25)12-4-6-14-16(9-12)23-11(2)10-22-14/h4-7,9-10,24H,3,8H2,1-2H3.
What are the key properties of N-[2-chloro-4-fluoro-3-(3-methylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide?
N-[2-chloro-4-fluoro-3-(3-methylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide has a molecular weight of 421.88 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-fluoro-3-(3-methylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide is sourced from PubChem (CID 71268635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).