N-(3-chlorophenyl)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]quinoxaline-5-sulfonamide

C22H16ClF2N3O2S — CID 141111550

IUPACN-(3-chlorophenyl)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]quinoxaline-5-sulfonamide
SMILESC[C@H](c1ccc(F)cc1F)N(c1cccc(Cl)c1)S(=O)(=O)c1cccc2nccnc12
InChIInChI=1S/C22H16ClF2N3O2S/c1-14(18-9-8-16(24)13-19(18)25)28(17-5-2-4-15(23)12-17)31(29,30)21-7-3-6-20-22(21)27-11-10-26-20/h2-14H,1H3/t14-/m1/s1
InChIKeyPLPDTJSPXIHBDN-CQSZACIVSA-N
MW459.91 g/mol
LogP5.52
Rot. Bonds5

About N-(3-chlorophenyl)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]quinoxaline-5-sulfonamide

N-(3-chlorophenyl)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]quinoxaline-5-sulfonamide (PubChem CID 141111550) has the molecular formula C22H16ClF2N3O2S and a molecular weight of 459.91 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]quinoxaline-5-sulfonamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]quinoxaline-5-sulfonamide
PubChem CID141111550
Molecular FormulaC22H16ClF2N3O2S
Molecular Weight459.91 g/mol
Exact Mass459.06
IUPAC NameN-(3-chlorophenyl)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]quinoxaline-5-sulfonamide
SMILESC[C@H](c1ccc(F)cc1F)N(c1cccc(Cl)c1)S(=O)(=O)c1cccc2nccnc12
InChIInChI=1S/C22H16ClF2N3O2S/c1-14(18-9-8-16(24)13-19(18)25)28(17-5-2-4-15(23)12-17)31(29,30)21-7-3-6-20-22(21)27-11-10-26-20/h2-14H,1H3/t14-/m1/s1
InChIKeyPLPDTJSPXIHBDN-CQSZACIVSA-N
XLogP5.52
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.91
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]quinoxaline-5-sulfonamide
CID 141111560
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-[3-(trifluoromethyl)phenyl]quinoxaline-5-sulfonamide
CID 141111546
N-(3-chlorophenyl)-4-fluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 93207265
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-4-fluoro-2-(quinoxalin-5-ylsulfonylamino)benzamide
CID 11318350
2-fluoro-N-[(1R)-1-(2-fluorophenyl)ethyl]-N-(3-methylphenyl)benzenesulfonamide
CID 93147507
1-(2,4-difluorophenyl)-N-methyl-1-quinoxalin-5-ylmethanamine
CID 105143729
3-chloro-N-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]-2-methylbenzenesulfonamide
CID 42842020
4-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-(3-methoxyphenyl)-2-methylbenzenesulfonamide
CID 42842037
N-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]-2-methylbenzenesulfonamide
CID 46023211
4-chloro-N-(4-fluorophenyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 93207173
6-[1-(2,4-difluorophenyl)-2-fluoroethyl]-6-(quinoxalin-5-ylsulfonylamino)cyclohexa-2,4-diene-1-carboxamide
CID 67014327
4-chloro-2-fluoro-1-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;ethane
CID 166121933

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]quinoxaline-5-sulfonamide?
The IUPAC name of N-(3-chlorophenyl)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]quinoxaline-5-sulfonamide (CID 141111550) is N-(3-chlorophenyl)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]quinoxaline-5-sulfonamide.
What is the SMILES notation for N-(3-chlorophenyl)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]quinoxaline-5-sulfonamide?
The canonical SMILES for N-(3-chlorophenyl)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]quinoxaline-5-sulfonamide is C[C@H](c1ccc(F)cc1F)N(c1cccc(Cl)c1)S(=O)(=O)c1cccc2nccnc12.
What is the InChIKey of N-(3-chlorophenyl)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]quinoxaline-5-sulfonamide?
The InChIKey is PLPDTJSPXIHBDN-CQSZACIVSA-N. The full InChI is InChI=1S/C22H16ClF2N3O2S/c1-14(18-9-8-16(24)13-19(18)25)28(17-5-2-4-15(23)12-17)31(29,30)21-7-3-6-20-22(21)27-11-10-26-20/h2-14H,1H3/t14-/m1/s1.
What are the key properties of N-(3-chlorophenyl)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]quinoxaline-5-sulfonamide?
N-(3-chlorophenyl)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]quinoxaline-5-sulfonamide has a molecular weight of 459.91 g/mol, XLogP of 5.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]quinoxaline-5-sulfonamide is sourced from PubChem (CID 141111550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).