2-amino-4-bromo-N-methylsulfonylbenzamide

C8H9BrN2O3S — CID 103287307

IUPAC2-amino-4-bromo-N-methylsulfonylbenzamide
SMILESCS(=O)(=O)NC(=O)c1ccc(Br)cc1N
InChIInChI=1S/C8H9BrN2O3S/c1-15(13,14)11-8(12)6-3-2-5(9)4-7(6)10/h2-4H,10H2,1H3,(H,11,12)
InChIKeyUDEUYUIWSDZGOB-UHFFFAOYSA-N
MW293.14 g/mol
LogP0.72
Rot. Bonds2

About 2-amino-4-bromo-N-methylsulfonylbenzamide

2-amino-4-bromo-N-methylsulfonylbenzamide (PubChem CID 103287307) has the molecular formula C8H9BrN2O3S and a molecular weight of 293.14 g/mol. Its IUPAC name is 2-amino-4-bromo-N-methylsulfonylbenzamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-methylsulfonylbenzamide
PubChem CID103287307
Molecular FormulaC8H9BrN2O3S
Molecular Weight293.14 g/mol
Exact Mass291.95
IUPAC Name2-amino-4-bromo-N-methylsulfonylbenzamide
SMILESCS(=O)(=O)NC(=O)c1ccc(Br)cc1N
InChIInChI=1S/C8H9BrN2O3S/c1-15(13,14)11-8(12)6-3-2-5(9)4-7(6)10/h2-4H,10H2,1H3,(H,11,12)
InChIKeyUDEUYUIWSDZGOB-UHFFFAOYSA-N
XLogP0.72
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.14
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-bromo-N-(4-methylsulfonylphenyl)benzamide
CID 79704047
2-amino-4-bromo-N-(3-methylsulfonylphenyl)benzamide
CID 79704730
3-amino-4-bromo-N-methylsulfonylbenzamide
CID 107813359
[[(2-amino-4-methylbenzoyl)amino]-methyl-oxo-λ6-sulfanylidene]tungsten
CID 166038845
2-amino-4-bromo-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 79714359
3-bromo-N-methylsulfonylbenzamide
CID 47269279
2-amino-4-bromo-N-(3-methylbutyl)benzamide
CID 79714251
2-amino-4-bromo-N-(5-methylhexan-2-yl)benzamide
CID 79714925
2-amino-4-bromo-N,N-dimethylbenzamide
CID 79714600
2-amino-4-bromo-N-(2-methyl-3-pyridinyl)benzamide
CID 79713450
5-amino-2-methyl-N-methylsulfonylbenzamide
CID 18957755
2-amino-4-bromo-N-(1,1-dimethoxypropan-2-yl)benzamide
CID 79723305

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-methylsulfonylbenzamide?
The IUPAC name of 2-amino-4-bromo-N-methylsulfonylbenzamide (CID 103287307) is 2-amino-4-bromo-N-methylsulfonylbenzamide.
What is the SMILES notation for 2-amino-4-bromo-N-methylsulfonylbenzamide?
The canonical SMILES for 2-amino-4-bromo-N-methylsulfonylbenzamide is CS(=O)(=O)NC(=O)c1ccc(Br)cc1N.
What is the InChIKey of 2-amino-4-bromo-N-methylsulfonylbenzamide?
The InChIKey is UDEUYUIWSDZGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O3S/c1-15(13,14)11-8(12)6-3-2-5(9)4-7(6)10/h2-4H,10H2,1H3,(H,11,12).
What are the key properties of 2-amino-4-bromo-N-methylsulfonylbenzamide?
2-amino-4-bromo-N-methylsulfonylbenzamide has a molecular weight of 293.14 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-N-methylsulfonylbenzamide is sourced from PubChem (CID 103287307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).