4-bromo-2-chloro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzenesulfonamide

C14H10BrClN2O4S — CID 32968530

IUPAC4-bromo-2-chloro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzenesulfonamide
SMILESO=C1COc2ccc(NS(=O)(=O)c3ccc(Br)cc3Cl)cc2N1
InChIInChI=1S/C14H10BrClN2O4S/c15-8-1-4-13(10(16)5-8)23(20,21)18-9-2-3-12-11(6-9)17-14(19)7-22-12/h1-6,18H,7H2,(H,17,19)
InChIKeyUOOGAOCPLANHSU-UHFFFAOYSA-N
MW417.67 g/mol
LogP3.23
Rot. Bonds3

About 4-bromo-2-chloro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzenesulfonamide

4-bromo-2-chloro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzenesulfonamide (PubChem CID 32968530) has the molecular formula C14H10BrClN2O4S and a molecular weight of 417.67 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzenesulfonamide
PubChem CID32968530
Molecular FormulaC14H10BrClN2O4S
Molecular Weight417.67 g/mol
Exact Mass415.92
IUPAC Name4-bromo-2-chloro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzenesulfonamide
SMILESO=C1COc2ccc(NS(=O)(=O)c3ccc(Br)cc3Cl)cc2N1
InChIInChI=1S/C14H10BrClN2O4S/c15-8-1-4-13(10(16)5-8)23(20,21)18-9-2-3-12-11(6-9)17-14(19)7-22-12/h1-6,18H,7H2,(H,17,19)
InChIKeyUOOGAOCPLANHSU-UHFFFAOYSA-N
XLogP3.23
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.67
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dichlorophenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 31699666
2-chloro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazole-5-sulfonamide
CID 61251329
N-[(4-bromo-2-methylphenyl)methyl]-6-chloro-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
CID 86937171
4-bromo-2-chloro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 64794050
3-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)-4H-1,4-benzoxazine-6-sulfonamide
CID 46962935
N-(3-oxo-4H-1,4-benzoxazin-6-yl)butane-1-sulfonamide
CID 110778091
6-[(3,5-dichlorophenyl)methylamino]-4H-1,4-benzoxazin-3-one
CID 60789039
1-(4-fluorophenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)methanesulfonamide
CID 110778103
4-bromo-2-chloro-N-[3-chloro-4-(methanesulfonamido)phenyl]benzenesulfonamide
CID 35545610
4-bromo-2-chloro-N-(3,5-dichloro-4-fluorophenyl)benzenesulfonamide
CID 107577552
6-[(4-chloro-2-fluorophenyl)methylamino]-4H-1,4-benzoxazin-3-one
CID 114841432
3-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-4H-1,4-benzoxazine-6-sulfonamide
CID 31703497

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-chloro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzenesulfonamide (CID 32968530) is 4-bromo-2-chloro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-chloro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-chloro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzenesulfonamide is O=C1COc2ccc(NS(=O)(=O)c3ccc(Br)cc3Cl)cc2N1.
What is the InChIKey of 4-bromo-2-chloro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzenesulfonamide?
The InChIKey is UOOGAOCPLANHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN2O4S/c15-8-1-4-13(10(16)5-8)23(20,21)18-9-2-3-12-11(6-9)17-14(19)7-22-12/h1-6,18H,7H2,(H,17,19).
What are the key properties of 4-bromo-2-chloro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzenesulfonamide?
4-bromo-2-chloro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzenesulfonamide has a molecular weight of 417.67 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzenesulfonamide is sourced from PubChem (CID 32968530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).