7-chloro-3-oxo-4H-quinoxaline-6-sulfonamide

C8H6ClN3O3S — CID 141007133

IUPAC7-chloro-3-oxo-4H-quinoxaline-6-sulfonamide
SMILESNS(=O)(=O)c1cc2[nH]c(=O)cnc2cc1Cl
InChIInChI=1S/C8H6ClN3O3S/c9-4-1-5-6(12-8(13)3-11-5)2-7(4)16(10,14)15/h1-3H,(H,12,13)(H2,10,14,15)
InChIKeyVYIBPKQMBKSOMA-UHFFFAOYSA-N
MW259.67 g/mol
LogP0.22
Rot. Bonds1

About 7-chloro-3-oxo-4H-quinoxaline-6-sulfonamide

7-chloro-3-oxo-4H-quinoxaline-6-sulfonamide (PubChem CID 141007133) has the molecular formula C8H6ClN3O3S and a molecular weight of 259.67 g/mol. Its IUPAC name is 7-chloro-3-oxo-4H-quinoxaline-6-sulfonamide.

Molecular Properties

Compound Name7-chloro-3-oxo-4H-quinoxaline-6-sulfonamide
PubChem CID141007133
Molecular FormulaC8H6ClN3O3S
Molecular Weight259.67 g/mol
Exact Mass258.98
IUPAC Name7-chloro-3-oxo-4H-quinoxaline-6-sulfonamide
SMILESNS(=O)(=O)c1cc2[nH]c(=O)cnc2cc1Cl
InChIInChI=1S/C8H6ClN3O3S/c9-4-1-5-6(12-8(13)3-11-5)2-7(4)16(10,14)15/h1-3H,(H,12,13)(H2,10,14,15)
InChIKeyVYIBPKQMBKSOMA-UHFFFAOYSA-N
XLogP0.22
TPSA105.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.67
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-(5-chloro-6-sulfamoyl-1H-benzimidazol-2-yl)-3H-benzimidazole-5-sulfonamide
CID 13289712
6-chloro-7-iodo-1H-quinoxalin-2-one
CID 167236785
6,7-difluoro-1H-quinoxalin-2-one
CID 6324339
6-chloro-2-propyl-3H-benzimidazole-5-sulfonamide
CID 13289697
7-chloro-6-(2,4-difluorophenyl)-1H-quinoxalin-2-one
CID 175937083
6-chloro-2-(2-phenylethyl)-3H-benzimidazole-5-sulfonamide
CID 13289708
7-chloro-4-oxo-2-propan-2-yl-3H-quinazoline-6-sulfonamide
CID 137292748
5-chloro-2-(difluoromethyl)pyridine-4-sulfonamide
CID 130095776
1,7-dihydroquinoxalin-7-id-2-one;yttrium
CID 58916328
6-chloro-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 54262102
4-chloro-6-(difluoromethyl)pyridine-3-sulfonamide
CID 130095772
2,5-dichloro-4-methylbenzenesulfonamide
CID 104727916

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-oxo-4H-quinoxaline-6-sulfonamide?
The IUPAC name of 7-chloro-3-oxo-4H-quinoxaline-6-sulfonamide (CID 141007133) is 7-chloro-3-oxo-4H-quinoxaline-6-sulfonamide.
What is the SMILES notation for 7-chloro-3-oxo-4H-quinoxaline-6-sulfonamide?
The canonical SMILES for 7-chloro-3-oxo-4H-quinoxaline-6-sulfonamide is NS(=O)(=O)c1cc2[nH]c(=O)cnc2cc1Cl.
What is the InChIKey of 7-chloro-3-oxo-4H-quinoxaline-6-sulfonamide?
The InChIKey is VYIBPKQMBKSOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3O3S/c9-4-1-5-6(12-8(13)3-11-5)2-7(4)16(10,14)15/h1-3H,(H,12,13)(H2,10,14,15).
What are the key properties of 7-chloro-3-oxo-4H-quinoxaline-6-sulfonamide?
7-chloro-3-oxo-4H-quinoxaline-6-sulfonamide has a molecular weight of 259.67 g/mol, XLogP of 0.22, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-oxo-4H-quinoxaline-6-sulfonamide is sourced from PubChem (CID 141007133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).