N-(4-bromophenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide

C14H10BrN3O4S — CID 4178720

IUPACN-(4-bromophenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
SMILESO=c1[nH]c2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2[nH]c1=O
InChIInChI=1S/C14H10BrN3O4S/c15-8-1-3-9(4-2-8)18-23(21,22)10-5-6-11-12(7-10)17-14(20)13(19)16-11/h1-7,18H,(H,16,19)(H,17,20)
InChIKeyNESCUKRAVDFFCC-UHFFFAOYSA-N
MW396.22 g/mol
LogP1.78
Rot. Bonds3

About N-(4-bromophenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide

N-(4-bromophenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide (PubChem CID 4178720) has the molecular formula C14H10BrN3O4S and a molecular weight of 396.22 g/mol. Its IUPAC name is N-(4-bromophenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
PubChem CID4178720
Molecular FormulaC14H10BrN3O4S
Molecular Weight396.22 g/mol
Exact Mass394.96
IUPAC NameN-(4-bromophenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
SMILESO=c1[nH]c2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2[nH]c1=O
InChIInChI=1S/C14H10BrN3O4S/c15-8-1-3-9(4-2-8)18-23(21,22)10-5-6-11-12(7-10)17-14(20)13(19)16-11/h1-7,18H,(H,16,19)(H,17,20)
InChIKeyNESCUKRAVDFFCC-UHFFFAOYSA-N
XLogP1.78
TPSA111.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.22
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromophenyl)-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
CID 37165193
methyl 4-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonylamino]benzoate
CID 15999609
N-(3-bromo-4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110421824
2,3-dioxo-N-propan-2-yl-1,4-dihydroquinoxaline-6-sulfonamide
CID 866306
2-oxo-N-[4-(trifluoromethyl)phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110423453
6-bromo-1,4-dihydroquinoxaline-2,3-dione
CID 5062264
N-(4-bromophenyl)-4-iodobenzenesulfonamide
CID 990484
N-[4-(difluoromethylsulfanyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 7586520
N-(3-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 752841
2-N,7-N-bis(4-bromophenyl)-9H-fluorene-2,7-disulfonamide
CID 3112211
4-bromo-N-(4-hydroxyphenyl)benzenesulfonamide
CID 875203
N-(4-bromophenyl)-4-chloro-3-methylbenzenesulfonamide
CID 7718536

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide?
The IUPAC name of N-(4-bromophenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide (CID 4178720) is N-(4-bromophenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide.
What is the SMILES notation for N-(4-bromophenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide?
The canonical SMILES for N-(4-bromophenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide is O=c1[nH]c2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2[nH]c1=O.
What is the InChIKey of N-(4-bromophenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide?
The InChIKey is NESCUKRAVDFFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O4S/c15-8-1-3-9(4-2-8)18-23(21,22)10-5-6-11-12(7-10)17-14(20)13(19)16-11/h1-7,18H,(H,16,19)(H,17,20).
What are the key properties of N-(4-bromophenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide?
N-(4-bromophenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide has a molecular weight of 396.22 g/mol, XLogP of 1.78, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide is sourced from PubChem (CID 4178720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).