N-[3-(4-chloro-2-methoxy-5-methylanilino)quinoxalin-2-yl]benzenesulfonamide

C22H19ClN4O3S — CID 4569063

IUPACN-[3-(4-chloro-2-methoxy-5-methylanilino)quinoxalin-2-yl]benzenesulfonamide
SMILESCOc1cc(Cl)c(C)cc1Nc1nc2ccccc2nc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C22H19ClN4O3S/c1-14-12-19(20(30-2)13-16(14)23)26-21-22(25-18-11-7-6-10-17(18)24-21)27-31(28,29)15-8-4-3-5-9-15/h3-13H,1-2H3,(H,24,26)(H,25,27)
InChIKeyRHUFWTKSCLMTER-UHFFFAOYSA-N
MW454.94 g/mol
LogP5.14
Rot. Bonds6

About N-[3-(4-chloro-2-methoxy-5-methylanilino)quinoxalin-2-yl]benzenesulfonamide

N-[3-(4-chloro-2-methoxy-5-methylanilino)quinoxalin-2-yl]benzenesulfonamide (PubChem CID 4569063) has the molecular formula C22H19ClN4O3S and a molecular weight of 454.94 g/mol. Its IUPAC name is N-[3-(4-chloro-2-methoxy-5-methylanilino)quinoxalin-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(4-chloro-2-methoxy-5-methylanilino)quinoxalin-2-yl]benzenesulfonamide
PubChem CID4569063
Molecular FormulaC22H19ClN4O3S
Molecular Weight454.94 g/mol
Exact Mass454.09
IUPAC NameN-[3-(4-chloro-2-methoxy-5-methylanilino)quinoxalin-2-yl]benzenesulfonamide
SMILESCOc1cc(Cl)c(C)cc1Nc1nc2ccccc2nc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C22H19ClN4O3S/c1-14-12-19(20(30-2)13-16(14)23)26-21-22(25-18-11-7-6-10-17(18)24-21)27-31(28,29)15-8-4-3-5-9-15/h3-13H,1-2H3,(H,24,26)(H,25,27)
InChIKeyRHUFWTKSCLMTER-UHFFFAOYSA-N
XLogP5.14
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.94
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloro-2-methoxy-5-methylanilino)quinoxalin-2-yl]benzenesulfonamide?
The IUPAC name of N-[3-(4-chloro-2-methoxy-5-methylanilino)quinoxalin-2-yl]benzenesulfonamide (CID 4569063) is N-[3-(4-chloro-2-methoxy-5-methylanilino)quinoxalin-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[3-(4-chloro-2-methoxy-5-methylanilino)quinoxalin-2-yl]benzenesulfonamide?
The canonical SMILES for N-[3-(4-chloro-2-methoxy-5-methylanilino)quinoxalin-2-yl]benzenesulfonamide is COc1cc(Cl)c(C)cc1Nc1nc2ccccc2nc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[3-(4-chloro-2-methoxy-5-methylanilino)quinoxalin-2-yl]benzenesulfonamide?
The InChIKey is RHUFWTKSCLMTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O3S/c1-14-12-19(20(30-2)13-16(14)23)26-21-22(25-18-11-7-6-10-17(18)24-21)27-31(28,29)15-8-4-3-5-9-15/h3-13H,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N-[3-(4-chloro-2-methoxy-5-methylanilino)quinoxalin-2-yl]benzenesulfonamide?
N-[3-(4-chloro-2-methoxy-5-methylanilino)quinoxalin-2-yl]benzenesulfonamide has a molecular weight of 454.94 g/mol, XLogP of 5.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloro-2-methoxy-5-methylanilino)quinoxalin-2-yl]benzenesulfonamide is sourced from PubChem (CID 4569063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).