N-[4-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]phenyl]acetamide

C22H19N5O3S — CID 1400928

IUPACN-[4-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H19N5O3S/c1-15(28)23-16-11-13-17(14-12-16)24-21-22(26-20-10-6-5-9-19(20)25-21)27-31(29,30)18-7-3-2-4-8-18/h2-14H,1H3,(H,23,28)(H,24,25)(H,26,27)
InChIKeyCUWFKQGJMRIMRI-UHFFFAOYSA-N
MW433.49 g/mol
LogP4.13
Rot. Bonds6

About N-[4-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]phenyl]acetamide

N-[4-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]phenyl]acetamide (PubChem CID 1400928) has the molecular formula C22H19N5O3S and a molecular weight of 433.49 g/mol. Its IUPAC name is N-[4-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]phenyl]acetamide
PubChem CID1400928
Molecular FormulaC22H19N5O3S
Molecular Weight433.49 g/mol
Exact Mass433.12
IUPAC NameN-[4-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H19N5O3S/c1-15(28)23-16-11-13-17(14-12-16)24-21-22(26-20-10-6-5-9-19(20)25-21)27-31(29,30)18-7-3-2-4-8-18/h2-14H,1H3,(H,23,28)(H,24,25)(H,26,27)
InChIKeyCUWFKQGJMRIMRI-UHFFFAOYSA-N
XLogP4.13
TPSA113.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]phenyl]acetamide (CID 1400928) is N-[4-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]phenyl]acetamide?
The InChIKey is CUWFKQGJMRIMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3S/c1-15(28)23-16-11-13-17(14-12-16)24-21-22(26-20-10-6-5-9-19(20)25-21)27-31(29,30)18-7-3-2-4-8-18/h2-14H,1H3,(H,23,28)(H,24,25)(H,26,27).
What are the key properties of N-[4-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]phenyl]acetamide?
N-[4-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]phenyl]acetamide has a molecular weight of 433.49 g/mol, XLogP of 4.13, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 1400928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).