1-bromo-N-[3-bromo-2-(methoxymethyl)phenyl]methanesulfonamide

C9H11Br2NO3S — CID 83086055

IUPAC1-bromo-N-[3-bromo-2-(methoxymethyl)phenyl]methanesulfonamide
SMILESCOCc1c(Br)cccc1NS(=O)(=O)CBr
InChIInChI=1S/C9H11Br2NO3S/c1-15-5-7-8(11)3-2-4-9(7)12-16(13,14)6-10/h2-4,12H,5-6H2,1H3
InChIKeyAJSRZRTZKRUACV-UHFFFAOYSA-N
MW373.07 g/mol
LogP2.69
Rot. Bonds5

About 1-bromo-N-[3-bromo-2-(methoxymethyl)phenyl]methanesulfonamide

1-bromo-N-[3-bromo-2-(methoxymethyl)phenyl]methanesulfonamide (PubChem CID 83086055) has the molecular formula C9H11Br2NO3S and a molecular weight of 373.07 g/mol. Its IUPAC name is 1-bromo-N-[3-bromo-2-(methoxymethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound Name1-bromo-N-[3-bromo-2-(methoxymethyl)phenyl]methanesulfonamide
PubChem CID83086055
Molecular FormulaC9H11Br2NO3S
Molecular Weight373.07 g/mol
Exact Mass370.88
IUPAC Name1-bromo-N-[3-bromo-2-(methoxymethyl)phenyl]methanesulfonamide
SMILESCOCc1c(Br)cccc1NS(=O)(=O)CBr
InChIInChI=1S/C9H11Br2NO3S/c1-15-5-7-8(11)3-2-4-9(7)12-16(13,14)6-10/h2-4,12H,5-6H2,1H3
InChIKeyAJSRZRTZKRUACV-UHFFFAOYSA-N
XLogP2.69
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.07
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-bromo-N-[3-bromo-2-(methoxymethyl)phenyl]methanesulfonamide 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

N-[3-bromo-2-(methoxymethyl)phenyl]-2,2,2-trifluoroacetamide
CID 63374766
1-bromo-N-(2,6-dibromophenyl)methanesulfonamide
CID 107602651
N-[3-bromo-2-(methoxymethyl)phenyl]-3-oxobutanamide
CID 61215647
3-bromo-2-(methoxymethyl)-N-(3-methoxypropyl)aniline
CID 61166782
2-amino-N-[3-bromo-2-(methoxymethyl)phenyl]-3-methoxypropanamide
CID 81089050
N-[3-bromo-2-(methoxymethyl)phenyl]-2-(ethylamino)-2-methylpropanamide
CID 62836118
3-bromo-2-(methoxymethyl)-N-[(2,3,6-trichlorophenyl)methyl]aniline
CID 78943842
N-[3-bromo-2-(methoxymethyl)phenyl]-N'-tert-butylethane-1,2-diamine
CID 107445429
(2R)-2-amino-N-[3-bromo-2-(methoxymethyl)phenyl]-4-methylpentanamide
CID 104903215
2-amino-N-[3-bromo-2-(methoxymethyl)phenyl]butanediamide
CID 61167372
2-amino-N-[3-bromo-2-(methoxymethyl)phenyl]-4-methoxybutanamide
CID 62473419
methyl 2-[3-bromo-2-(methoxymethyl)anilino]butanoate
CID 113292588

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-[3-bromo-2-(methoxymethyl)phenyl]methanesulfonamide?
The IUPAC name of 1-bromo-N-[3-bromo-2-(methoxymethyl)phenyl]methanesulfonamide (CID 83086055) is 1-bromo-N-[3-bromo-2-(methoxymethyl)phenyl]methanesulfonamide.
What is the SMILES notation for 1-bromo-N-[3-bromo-2-(methoxymethyl)phenyl]methanesulfonamide?
The canonical SMILES for 1-bromo-N-[3-bromo-2-(methoxymethyl)phenyl]methanesulfonamide is COCc1c(Br)cccc1NS(=O)(=O)CBr.
What is the InChIKey of 1-bromo-N-[3-bromo-2-(methoxymethyl)phenyl]methanesulfonamide?
The InChIKey is AJSRZRTZKRUACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Br2NO3S/c1-15-5-7-8(11)3-2-4-9(7)12-16(13,14)6-10/h2-4,12H,5-6H2,1H3.
What are the key properties of 1-bromo-N-[3-bromo-2-(methoxymethyl)phenyl]methanesulfonamide?
1-bromo-N-[3-bromo-2-(methoxymethyl)phenyl]methanesulfonamide has a molecular weight of 373.07 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-[3-bromo-2-(methoxymethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 83086055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).