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

C22H16Cl3N3O2S — CID 141111560

IUPACN-(3-chlorophenyl)-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]quinoxaline-5-sulfonamide
SMILESC[C@H](c1ccc(Cl)cc1Cl)N(c1cccc(Cl)c1)S(=O)(=O)c1cccc2nccnc12
InChIInChI=1S/C22H16Cl3N3O2S/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
InChIKeyDEORVDCTNFQZMN-CQSZACIVSA-N
MW492.82 g/mol
LogP6.55
Rot. Bonds5

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

N-(3-chlorophenyl)-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]quinoxaline-5-sulfonamide (PubChem CID 141111560) has the molecular formula C22H16Cl3N3O2S and a molecular weight of 492.82 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]quinoxaline-5-sulfonamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]quinoxaline-5-sulfonamide
PubChem CID141111560
Molecular FormulaC22H16Cl3N3O2S
Molecular Weight492.82 g/mol
Exact Mass491.00
IUPAC NameN-(3-chlorophenyl)-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]quinoxaline-5-sulfonamide
SMILESC[C@H](c1ccc(Cl)cc1Cl)N(c1cccc(Cl)c1)S(=O)(=O)c1cccc2nccnc12
InChIInChI=1S/C22H16Cl3N3O2S/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
InChIKeyDEORVDCTNFQZMN-CQSZACIVSA-N
XLogP6.55
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.82
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloroquinolin-8-yl)-4-methylbenzenesulfonamide
CID 1380886
N-(5,7-dichloro-8-quinolinyl)-4-methylbenzenesulfonamide
CID 1070163
2-Amino-N-(5-chloroquinolin-8-yl)-4-methyl-benzenesulfonamide
CID 68183369
N-(7-Chloro-quinolin-8-yl)-benzenesulfonamide
CID 60164005
N-(5,7-dichloro-8-quinolinyl)benzenesulfonamide
CID 1069148
N-(3-chlorophenyl)-N-[(1S)-2-fluoro-1-(4-fluorophenyl)ethyl]quinoxaline-5-sulfonamide
CID 141111542
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-[3-(trifluoromethyl)phenyl]quinoxaline-5-sulfonamide
CID 141111546
N-[(1S)-2-fluoro-1-(4-fluorophenyl)ethyl]-N-(3-iodophenyl)quinoxaline-5-sulfonamide
CID 141111547
N-[(1R)-1-(4-fluorophenyl)ethyl]-N-(3-iodophenyl)quinoxaline-5-sulfonamide
CID 141111548
N-(3-chlorophenyl)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]quinoxaline-5-sulfonamide
CID 141111550
N-(3-chlorophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]quinoxaline-5-sulfonamide
CID 141111551
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-(3-fluorophenyl)quinoxaline-5-sulfonamide
CID 141111553

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]quinoxaline-5-sulfonamide?
The IUPAC name of N-(3-chlorophenyl)-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]quinoxaline-5-sulfonamide (CID 141111560) is N-(3-chlorophenyl)-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]quinoxaline-5-sulfonamide.
What is the SMILES notation for N-(3-chlorophenyl)-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]quinoxaline-5-sulfonamide?
The canonical SMILES for N-(3-chlorophenyl)-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]quinoxaline-5-sulfonamide is C[C@H](c1ccc(Cl)cc1Cl)N(c1cccc(Cl)c1)S(=O)(=O)c1cccc2nccnc12.
What is the InChIKey of N-(3-chlorophenyl)-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]quinoxaline-5-sulfonamide?
The InChIKey is DEORVDCTNFQZMN-CQSZACIVSA-N. The full InChI is InChI=1S/C22H16Cl3N3O2S/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-dichlorophenyl)ethyl]quinoxaline-5-sulfonamide?
N-(3-chlorophenyl)-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]quinoxaline-5-sulfonamide has a molecular weight of 492.82 g/mol, XLogP of 6.55, 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-dichlorophenyl)ethyl]quinoxaline-5-sulfonamide is sourced from PubChem (CID 141111560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).