N-(2,4-dibromophenyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide

C11H12Br2N2O3S — CID 56556433

IUPACN-(2,4-dibromophenyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESO=C(Nc1ccc(Br)cc1Br)N1CCS(=O)(=O)CC1
InChIInChI=1S/C11H12Br2N2O3S/c12-8-1-2-10(9(13)7-8)14-11(16)15-3-5-19(17,18)6-4-15/h1-2,7H,3-6H2,(H,14,16)
InChIKeyBLKHWYAJLQMASF-UHFFFAOYSA-N
MW412.10 g/mol
LogP2.47
Rot. Bonds1

About N-(2,4-dibromophenyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide

N-(2,4-dibromophenyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide (PubChem CID 56556433) has the molecular formula C11H12Br2N2O3S and a molecular weight of 412.10 g/mol. Its IUPAC name is N-(2,4-dibromophenyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dibromophenyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide
PubChem CID56556433
Molecular FormulaC11H12Br2N2O3S
Molecular Weight412.10 g/mol
Exact Mass409.89
IUPAC NameN-(2,4-dibromophenyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESO=C(Nc1ccc(Br)cc1Br)N1CCS(=O)(=O)CC1
InChIInChI=1S/C11H12Br2N2O3S/c12-8-1-2-10(9(13)7-8)14-11(16)15-3-5-19(17,18)6-4-15/h1-2,7H,3-6H2,(H,14,16)
InChIKeyBLKHWYAJLQMASF-UHFFFAOYSA-N
XLogP2.47
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.10
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,4-dibromophenyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide 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

4-(2-cyanophenyl)-N-(2,4-dibromophenyl)piperazine-1-carboxamide
CID 3815113
5-bromo-2-[(4-methylpiperazine-1-carbonyl)amino]benzoic acid
CID 62074359
N-(2-bromo-4-chlorophenyl)piperidine-1-carboxamide
CID 81272029
N-(5-bromo-2-chlorophenyl)piperidine-1-carboxamide
CID 112730281
N-(2,4-dibromophenyl)-4-(2-methoxyphenyl)piperidine-1-carboxamide
CID 3746837
N-(5-bromo-6-methyl-2-pyridinyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 167899386
N-(4-bromo-2-fluorophenyl)piperazine-1-carboxamide
CID 171854873
N-(4-amino-2-bromophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide
CID 43581094
N-(4-bromo-2-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 17262885
N-(2-bromo-4-methylphenyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 113103375
N-(4-bromo-2-methylphenyl)-4-formylpiperazine-1-carboxamide
CID 23848858
3-bromo-4-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]benzoic acid
CID 106670643

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dibromophenyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The IUPAC name of N-(2,4-dibromophenyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide (CID 56556433) is N-(2,4-dibromophenyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide.
What is the SMILES notation for N-(2,4-dibromophenyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The canonical SMILES for N-(2,4-dibromophenyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide is O=C(Nc1ccc(Br)cc1Br)N1CCS(=O)(=O)CC1.
What is the InChIKey of N-(2,4-dibromophenyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The InChIKey is BLKHWYAJLQMASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2N2O3S/c12-8-1-2-10(9(13)7-8)14-11(16)15-3-5-19(17,18)6-4-15/h1-2,7H,3-6H2,(H,14,16).
What are the key properties of N-(2,4-dibromophenyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide?
N-(2,4-dibromophenyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide has a molecular weight of 412.10 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dibromophenyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide is sourced from PubChem (CID 56556433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).