6-bromo-2-ethyl-N-(4-methoxyphenyl)-4-methyl-3-oxo-1,4-benzoxazine-8-sulfonamide

C18H19BrN2O5S — CID 163372211

IUPAC6-bromo-2-ethyl-N-(4-methoxyphenyl)-4-methyl-3-oxo-1,4-benzoxazine-8-sulfonamide
SMILESCCC1Oc2c(cc(Br)cc2S(=O)(=O)Nc2ccc(OC)cc2)N(C)C1=O
InChIInChI=1S/C18H19BrN2O5S/c1-4-15-18(22)21(2)14-9-11(19)10-16(17(14)26-15)27(23,24)20-12-5-7-13(25-3)8-6-12/h5-10,15,20H,4H2,1-3H3
InChIKeyOAIYCANWRGHSLJ-UHFFFAOYSA-N
MW455.33 g/mol
LogP3.39
Rot. Bonds5

About 6-bromo-2-ethyl-N-(4-methoxyphenyl)-4-methyl-3-oxo-1,4-benzoxazine-8-sulfonamide

6-bromo-2-ethyl-N-(4-methoxyphenyl)-4-methyl-3-oxo-1,4-benzoxazine-8-sulfonamide (PubChem CID 163372211) has the molecular formula C18H19BrN2O5S and a molecular weight of 455.33 g/mol. Its IUPAC name is 6-bromo-2-ethyl-N-(4-methoxyphenyl)-4-methyl-3-oxo-1,4-benzoxazine-8-sulfonamide.

Molecular Properties

Compound Name6-bromo-2-ethyl-N-(4-methoxyphenyl)-4-methyl-3-oxo-1,4-benzoxazine-8-sulfonamide
PubChem CID163372211
Molecular FormulaC18H19BrN2O5S
Molecular Weight455.33 g/mol
Exact Mass454.02
IUPAC Name6-bromo-2-ethyl-N-(4-methoxyphenyl)-4-methyl-3-oxo-1,4-benzoxazine-8-sulfonamide
SMILESCCC1Oc2c(cc(Br)cc2S(=O)(=O)Nc2ccc(OC)cc2)N(C)C1=O
InChIInChI=1S/C18H19BrN2O5S/c1-4-15-18(22)21(2)14-9-11(19)10-16(17(14)26-15)27(23,24)20-12-5-7-13(25-3)8-6-12/h5-10,15,20H,4H2,1-3H3
InChIKeyOAIYCANWRGHSLJ-UHFFFAOYSA-N
XLogP3.39
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.33
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-bromo-2-ethyl-N-(4-methoxyphenyl)-4-methyl-3-oxo-1,4-benzoxazine-8-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bromo-8-chloro-2-ethyl-4-methyl-1,4-benzoxazin-3-one
CID 82234205
6-bromo-N-(3-fluorophenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-8-sulfonamide
CID 167344438
6-bromo-N-(3-chlorophenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-8-sulfonamide
CID 167344239
5-amino-4-bromo-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide
CID 114624857
N-(4-methoxyphenyl)-1,3,6-trimethyl-2-oxobenzimidazole-5-sulfonamide
CID 53092083
2,4-dimethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 22774026
5-ethyl-N-(4-methoxyphenyl)thiophene-2-sulfonamide
CID 47309103
N-(2-ethylsulfonylethyl)-4-methoxyaniline
CID 43807675
2-chloro-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 32672944
1-ethyl-N-(4-methoxyphenyl)-3-methylpyrazole-4-sulfonamide
CID 22774028
4-methoxy-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-disulfonamide
CID 3106646
2,3,4,5-tetrafluoro-N-(4-methoxyphenyl)benzenesulfonamide
CID 15485024

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-ethyl-N-(4-methoxyphenyl)-4-methyl-3-oxo-1,4-benzoxazine-8-sulfonamide?
The IUPAC name of 6-bromo-2-ethyl-N-(4-methoxyphenyl)-4-methyl-3-oxo-1,4-benzoxazine-8-sulfonamide (CID 163372211) is 6-bromo-2-ethyl-N-(4-methoxyphenyl)-4-methyl-3-oxo-1,4-benzoxazine-8-sulfonamide.
What is the SMILES notation for 6-bromo-2-ethyl-N-(4-methoxyphenyl)-4-methyl-3-oxo-1,4-benzoxazine-8-sulfonamide?
The canonical SMILES for 6-bromo-2-ethyl-N-(4-methoxyphenyl)-4-methyl-3-oxo-1,4-benzoxazine-8-sulfonamide is CCC1Oc2c(cc(Br)cc2S(=O)(=O)Nc2ccc(OC)cc2)N(C)C1=O.
What is the InChIKey of 6-bromo-2-ethyl-N-(4-methoxyphenyl)-4-methyl-3-oxo-1,4-benzoxazine-8-sulfonamide?
The InChIKey is OAIYCANWRGHSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O5S/c1-4-15-18(22)21(2)14-9-11(19)10-16(17(14)26-15)27(23,24)20-12-5-7-13(25-3)8-6-12/h5-10,15,20H,4H2,1-3H3.
What are the key properties of 6-bromo-2-ethyl-N-(4-methoxyphenyl)-4-methyl-3-oxo-1,4-benzoxazine-8-sulfonamide?
6-bromo-2-ethyl-N-(4-methoxyphenyl)-4-methyl-3-oxo-1,4-benzoxazine-8-sulfonamide has a molecular weight of 455.33 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-ethyl-N-(4-methoxyphenyl)-4-methyl-3-oxo-1,4-benzoxazine-8-sulfonamide is sourced from PubChem (CID 163372211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).