6-bromo-N-(3-chlorophenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-8-sulfonamide

C16H14BrClN2O4S — CID 167344239

IUPAC6-bromo-N-(3-chlorophenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-8-sulfonamide
SMILESCC1Oc2c(cc(Br)cc2S(=O)(=O)Nc2cccc(Cl)c2)N(C)C1=O
InChIInChI=1S/C16H14BrClN2O4S/c1-9-16(21)20(2)13-6-10(17)7-14(15(13)24-9)25(22,23)19-12-5-3-4-11(18)8-12/h3-9,19H,1-2H3
InChIKeyOXGZGFPOTRGCIG-UHFFFAOYSA-N
MW445.72 g/mol
LogP3.65
Rot. Bonds3

About 6-bromo-N-(3-chlorophenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-8-sulfonamide

6-bromo-N-(3-chlorophenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-8-sulfonamide (PubChem CID 167344239) has the molecular formula C16H14BrClN2O4S and a molecular weight of 445.72 g/mol. Its IUPAC name is 6-bromo-N-(3-chlorophenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-8-sulfonamide.

Molecular Properties

Compound Name6-bromo-N-(3-chlorophenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-8-sulfonamide
PubChem CID167344239
Molecular FormulaC16H14BrClN2O4S
Molecular Weight445.72 g/mol
Exact Mass443.95
IUPAC Name6-bromo-N-(3-chlorophenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-8-sulfonamide
SMILESCC1Oc2c(cc(Br)cc2S(=O)(=O)Nc2cccc(Cl)c2)N(C)C1=O
InChIInChI=1S/C16H14BrClN2O4S/c1-9-16(21)20(2)13-6-10(17)7-14(15(13)24-9)25(22,23)19-12-5-3-4-11(18)8-12/h3-9,19H,1-2H3
InChIKeyOXGZGFPOTRGCIG-UHFFFAOYSA-N
XLogP3.65
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.72
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-bromo-N-(3-chlorophenyl)-2,4-dimethyl-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

CID 145992400
CID 145992400
CID 57385921
CID 57385921
CID 156410421
CID 156410421
CID 156410428
CID 156410428
CID 156410430
CID 156410430
CID 156410435
CID 156410435
CID 156410533
CID 156410533
CID 156410549
CID 156410549
CID 156410605
CID 156410605
CID 156410611
CID 156410611
CID 156410612
CID 156410612
CID 156410654
CID 156410654

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3-chlorophenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-8-sulfonamide?
The IUPAC name of 6-bromo-N-(3-chlorophenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-8-sulfonamide (CID 167344239) is 6-bromo-N-(3-chlorophenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-8-sulfonamide.
What is the SMILES notation for 6-bromo-N-(3-chlorophenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-8-sulfonamide?
The canonical SMILES for 6-bromo-N-(3-chlorophenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-8-sulfonamide is CC1Oc2c(cc(Br)cc2S(=O)(=O)Nc2cccc(Cl)c2)N(C)C1=O.
What is the InChIKey of 6-bromo-N-(3-chlorophenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-8-sulfonamide?
The InChIKey is OXGZGFPOTRGCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClN2O4S/c1-9-16(21)20(2)13-6-10(17)7-14(15(13)24-9)25(22,23)19-12-5-3-4-11(18)8-12/h3-9,19H,1-2H3.
What are the key properties of 6-bromo-N-(3-chlorophenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-8-sulfonamide?
6-bromo-N-(3-chlorophenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-8-sulfonamide has a molecular weight of 445.72 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3-chlorophenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-8-sulfonamide is sourced from PubChem (CID 167344239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).