2-sulfamoyl-5-(sulfinoamino)acenaphthyleno[1,2-b]quinoxaline

C18H12N4O4S2 — CID 158445836

IUPAC2-sulfamoyl-5-(sulfinoamino)acenaphthyleno[1,2-b]quinoxaline
SMILESNS(=O)(=O)c1cc2c3c(cc(NS(=O)O)cc3c1)-c1nc3ccccc3nc1-2
InChIInChI=1S/C18H12N4O4S2/c19-28(25,26)11-6-9-5-10(22-27(23)24)7-12-16(9)13(8-11)18-17(12)20-14-3-1-2-4-15(14)21-18/h1-8,22H,(H,23,24)(H2,19,25,26)
InChIKeyXEFSGVYKTBNJNV-UHFFFAOYSA-N
MW412.45 g/mol
LogP2.63
Rot. Bonds3

About 2-sulfamoyl-5-(sulfinoamino)acenaphthyleno[1,2-b]quinoxaline

2-sulfamoyl-5-(sulfinoamino)acenaphthyleno[1,2-b]quinoxaline (PubChem CID 158445836) has the molecular formula C18H12N4O4S2 and a molecular weight of 412.45 g/mol. Its IUPAC name is 2-sulfamoyl-5-(sulfinoamino)acenaphthyleno[1,2-b]quinoxaline.

Molecular Properties

Compound Name2-sulfamoyl-5-(sulfinoamino)acenaphthyleno[1,2-b]quinoxaline
PubChem CID158445836
Molecular FormulaC18H12N4O4S2
Molecular Weight412.45 g/mol
Exact Mass412.03
IUPAC Name2-sulfamoyl-5-(sulfinoamino)acenaphthyleno[1,2-b]quinoxaline
SMILESNS(=O)(=O)c1cc2c3c(cc(NS(=O)O)cc3c1)-c1nc3ccccc3nc1-2
InChIInChI=1S/C18H12N4O4S2/c19-28(25,26)11-6-9-5-10(22-27(23)24)7-12-16(9)13(8-11)18-17(12)20-14-3-1-2-4-15(14)21-18/h1-8,22H,(H,23,24)(H2,19,25,26)
InChIKeyXEFSGVYKTBNJNV-UHFFFAOYSA-N
XLogP2.63
TPSA135.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

acenaphthyleno[1,2-b]quinoxaline-5-sulfonamide
CID 158445835
4-amino-2-(3-chloroquinoxalin-2-yl)benzenesulfonamide
CID 154158256
8-hydroxynaphthalene-1,3,6-trisulfonamide
CID 51056626
N-naphthalen-2-yl-4-sulfamoylbenzamide
CID 24638963
1-borono-3-(sulfinoamino)benzene
CID 22024768
9-sulfamoyl-5,6-dihydroacenaphthyleno[1,2-b]quinoxaline-2,5-disulfonic acid
CID 89225024
3-(1,3-benzothiazol-2-ylamino)benzenesulfonamide
CID 29067972
3-phenoxy-N-(3-sulfamoylphenyl)quinoxaline-2-carboxamide
CID 78319832
5-amino-3-methyl-4-[4-(sulfinoamino)anilino]quinoline
CID 118371985
quinoline-6-sulfonamide
CID 23273907
benzenesulfonamide;methanol
CID 23223292
disodium bis(2,3-diphenylbenzo[g]quinoxaline-7-sulfonate)
CID 158386780

Frequently Asked Questions

What is the IUPAC name of 2-sulfamoyl-5-(sulfinoamino)acenaphthyleno[1,2-b]quinoxaline?
The IUPAC name of 2-sulfamoyl-5-(sulfinoamino)acenaphthyleno[1,2-b]quinoxaline (CID 158445836) is 2-sulfamoyl-5-(sulfinoamino)acenaphthyleno[1,2-b]quinoxaline.
What is the SMILES notation for 2-sulfamoyl-5-(sulfinoamino)acenaphthyleno[1,2-b]quinoxaline?
The canonical SMILES for 2-sulfamoyl-5-(sulfinoamino)acenaphthyleno[1,2-b]quinoxaline is NS(=O)(=O)c1cc2c3c(cc(NS(=O)O)cc3c1)-c1nc3ccccc3nc1-2.
What is the InChIKey of 2-sulfamoyl-5-(sulfinoamino)acenaphthyleno[1,2-b]quinoxaline?
The InChIKey is XEFSGVYKTBNJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4O4S2/c19-28(25,26)11-6-9-5-10(22-27(23)24)7-12-16(9)13(8-11)18-17(12)20-14-3-1-2-4-15(14)21-18/h1-8,22H,(H,23,24)(H2,19,25,26).
What are the key properties of 2-sulfamoyl-5-(sulfinoamino)acenaphthyleno[1,2-b]quinoxaline?
2-sulfamoyl-5-(sulfinoamino)acenaphthyleno[1,2-b]quinoxaline has a molecular weight of 412.45 g/mol, XLogP of 2.63, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfamoyl-5-(sulfinoamino)acenaphthyleno[1,2-b]quinoxaline is sourced from PubChem (CID 158445836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).