1-[3-[3-(4-chlorophenyl)quinoxaline-6-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide

C24H18ClF2N3O3S — CID 123207772

IUPAC1-[3-[3-(4-chlorophenyl)quinoxaline-6-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide
SMILESCCC(c1ccc(F)c(C(=O)c2ccc3ncc(-c4ccc(Cl)cc4)nc3c2)c1F)S(N)(=O)=O
InChIInChI=1S/C24H18ClF2N3O3S/c1-2-21(34(28,32)33)16-8-9-17(26)22(23(16)27)24(31)14-5-10-18-19(11-14)30-20(12-29-18)13-3-6-15(25)7-4-13/h3-12,21H,2H2,1H3,(H2,28,32,33)
InChIKeyFPLVOSWNRXCPBN-UHFFFAOYSA-N
MW501.94 g/mol
LogP5.20
Rot. Bonds6

About 1-[3-[3-(4-chlorophenyl)quinoxaline-6-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide

1-[3-[3-(4-chlorophenyl)quinoxaline-6-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide (PubChem CID 123207772) has the molecular formula C24H18ClF2N3O3S and a molecular weight of 501.94 g/mol. Its IUPAC name is 1-[3-[3-(4-chlorophenyl)quinoxaline-6-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide.

Molecular Properties

Compound Name1-[3-[3-(4-chlorophenyl)quinoxaline-6-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide
PubChem CID123207772
Molecular FormulaC24H18ClF2N3O3S
Molecular Weight501.94 g/mol
Exact Mass501.07
IUPAC Name1-[3-[3-(4-chlorophenyl)quinoxaline-6-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide
SMILESCCC(c1ccc(F)c(C(=O)c2ccc3ncc(-c4ccc(Cl)cc4)nc3c2)c1F)S(N)(=O)=O
InChIInChI=1S/C24H18ClF2N3O3S/c1-2-21(34(28,32)33)16-8-9-17(26)22(23(16)27)24(31)14-5-10-18-19(11-14)30-20(12-29-18)13-3-6-15(25)7-4-13/h3-12,21H,2H2,1H3,(H2,28,32,33)
InChIKeyFPLVOSWNRXCPBN-UHFFFAOYSA-N
XLogP5.20
TPSA103.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.94
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chlorophenyl)quinoxaline-6-carboxylic acid
CID 146673768
N-[3-[3-(4-chlorophenyl)quinoxaline-6-carbonyl]-2,4,5-trifluorophenyl]propane-1-sulfonamide;N-[3-[3-(4-chlorophenyl)quinoxaline-6-carbonyl]-2,4,5-trifluorophenyl]-N-propylsulfonylpropane-1-sulfonamide;methane;methanol
CID 162133175
7-[2,6-difluoro-3-[3-(sulfinatoamino)propyl]benzoyl]-2-(4-fluorophenyl)quinoxaline
CID 89463061
1-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]propane-1-sulfonamide
CID 172701145
1-[3-(5-anilino-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide
CID 172827954
ethyl 2-(4-methylphenyl)quinoxaline-6-carboxylate
CID 175538196
N-[2-fluoro-3-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide
CID 71534785
(2-chloro-6-fluoro-3-hydroxyphenyl)-[3-(2-methoxyethoxy)quinoxalin-6-yl]methanone
CID 89478118
3-(4-methoxyphenyl)quinoxaline-6-carboxamide
CID 15906060
7-(2-chloro-6-fluoro-3-hydroxybenzoyl)quinoxaline-2-carbonitrile
CID 89477900
2-(4-fluorophenyl)-7-[2,3,6-trifluoro-5-[3-(sulfinoamino)propyl]benzoyl]quinoxaline
CID 89421821
N-[2,4-difluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]cyclopropanesulfonamide
CID 71538187

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(4-chlorophenyl)quinoxaline-6-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide?
The IUPAC name of 1-[3-[3-(4-chlorophenyl)quinoxaline-6-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide (CID 123207772) is 1-[3-[3-(4-chlorophenyl)quinoxaline-6-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide.
What is the SMILES notation for 1-[3-[3-(4-chlorophenyl)quinoxaline-6-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide?
The canonical SMILES for 1-[3-[3-(4-chlorophenyl)quinoxaline-6-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide is CCC(c1ccc(F)c(C(=O)c2ccc3ncc(-c4ccc(Cl)cc4)nc3c2)c1F)S(N)(=O)=O.
What is the InChIKey of 1-[3-[3-(4-chlorophenyl)quinoxaline-6-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide?
The InChIKey is FPLVOSWNRXCPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClF2N3O3S/c1-2-21(34(28,32)33)16-8-9-17(26)22(23(16)27)24(31)14-5-10-18-19(11-14)30-20(12-29-18)13-3-6-15(25)7-4-13/h3-12,21H,2H2,1H3,(H2,28,32,33).
What are the key properties of 1-[3-[3-(4-chlorophenyl)quinoxaline-6-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide?
1-[3-[3-(4-chlorophenyl)quinoxaline-6-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide has a molecular weight of 501.94 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(4-chlorophenyl)quinoxaline-6-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide is sourced from PubChem (CID 123207772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).