N-[4-[[3-(3-sulfamoylanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide

C22H20N6O5S2 — CID 3343597

IUPACN-[4-[[3-(3-sulfamoylanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2cccc(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C22H20N6O5S2/c1-14(29)24-15-9-11-17(12-10-15)35(32,33)28-22-21(26-19-7-2-3-8-20(19)27-22)25-16-5-4-6-18(13-16)34(23,30)31/h2-13H,1H3,(H,24,29)(H,25,26)(H,27,28)(H2,23,30,31)
InChIKeyKBRZWOYMKKUDMV-UHFFFAOYSA-N
MW512.57 g/mol
LogP2.78
Rot. Bonds7

About N-[4-[[3-(3-sulfamoylanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide

N-[4-[[3-(3-sulfamoylanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide (PubChem CID 3343597) has the molecular formula C22H20N6O5S2 and a molecular weight of 512.57 g/mol. Its IUPAC name is N-[4-[[3-(3-sulfamoylanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[3-(3-sulfamoylanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
PubChem CID3343597
Molecular FormulaC22H20N6O5S2
Molecular Weight512.57 g/mol
Exact Mass512.09
IUPAC NameN-[4-[[3-(3-sulfamoylanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2cccc(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C22H20N6O5S2/c1-14(29)24-15-9-11-17(12-10-15)35(32,33)28-22-21(26-19-7-2-3-8-20(19)27-22)25-16-5-4-6-18(13-16)34(23,30)31/h2-13H,1H3,(H,24,29)(H,25,26)(H,27,28)(H2,23,30,31)
InChIKeyKBRZWOYMKKUDMV-UHFFFAOYSA-N
XLogP2.78
TPSA173.24 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.57
LogP ≤ 52.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-[[3-(4-methylanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 1241528
N-[4-[[3-(2-hydroxyethylamino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 25038629
N-[3-(3-chloroanilino)quinoxalin-2-yl]benzenesulfonamide
CID 2309498
N-(3-anilinoquinoxalin-2-yl)-3-(hydroxyamino)benzenesulfonamide
CID 89234569
3-[[3-[(4-methoxyphenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate
CID 2068807
4-chloro-N-[3-(3-hydroxyanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1024035
N-[3-[4-(hydroxyamino)anilino]quinoxalin-2-yl]benzenesulfonamide
CID 136598761
N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1325943
4-acetamido-N-(3-sulfamoylphenyl)benzamide
CID 4067351
ethyl 3-[[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate
CID 1402949
4-[[3-[(4-aminophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic acid
CID 143628844
N-[3-(3,4-dimethylanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide
CID 1383356

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(3-sulfamoylanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[3-(3-sulfamoylanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide (CID 3343597) is N-[4-[[3-(3-sulfamoylanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[3-(3-sulfamoylanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[3-(3-sulfamoylanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2cccc(S(N)(=O)=O)c2)cc1.
What is the InChIKey of N-[4-[[3-(3-sulfamoylanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide?
The InChIKey is KBRZWOYMKKUDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O5S2/c1-14(29)24-15-9-11-17(12-10-15)35(32,33)28-22-21(26-19-7-2-3-8-20(19)27-22)25-16-5-4-6-18(13-16)34(23,30)31/h2-13H,1H3,(H,24,29)(H,25,26)(H,27,28)(H2,23,30,31).
What are the key properties of N-[4-[[3-(3-sulfamoylanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide?
N-[4-[[3-(3-sulfamoylanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide has a molecular weight of 512.57 g/mol, XLogP of 2.78, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(3-sulfamoylanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 3343597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).