2-bromo-N-methoxy-N,4-dimethylbenzenesulfonamide

C9H12BrNO3S — CID 60765176

IUPAC2-bromo-N-methoxy-N,4-dimethylbenzenesulfonamide
SMILESCON(C)S(=O)(=O)c1ccc(C)cc1Br
InChIInChI=1S/C9H12BrNO3S/c1-7-4-5-9(8(10)6-7)15(12,13)11(2)14-3/h4-6H,1-3H3
InChIKeyHXFMHBPUEPSSSU-UHFFFAOYSA-N
MW294.17 g/mol
LogP1.94
Rot. Bonds3

About 2-bromo-N-methoxy-N,4-dimethylbenzenesulfonamide

2-bromo-N-methoxy-N,4-dimethylbenzenesulfonamide (PubChem CID 60765176) has the molecular formula C9H12BrNO3S and a molecular weight of 294.17 g/mol. Its IUPAC name is 2-bromo-N-methoxy-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-methoxy-N,4-dimethylbenzenesulfonamide
PubChem CID60765176
Molecular FormulaC9H12BrNO3S
Molecular Weight294.17 g/mol
Exact Mass292.97
IUPAC Name2-bromo-N-methoxy-N,4-dimethylbenzenesulfonamide
SMILESCON(C)S(=O)(=O)c1ccc(C)cc1Br
InChIInChI=1S/C9H12BrNO3S/c1-7-4-5-9(8(10)6-7)15(12,13)11(2)14-3/h4-6H,1-3H3
InChIKeyHXFMHBPUEPSSSU-UHFFFAOYSA-N
XLogP1.94
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.17
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-(4-methoxyphenyl)-N,4-dimethylbenzenesulfonamide
CID 62003855
2-bromo-N-(3,3-dimethylbutan-2-yl)-N,4-dimethylbenzenesulfonamide
CID 55029369
2-bromo-N-(2-hydroxyethyl)-N,4-dimethylbenzenesulfonamide
CID 60962319
2-bromo-N-(2-ethoxyethyl)-N,4-dimethylbenzenesulfonamide
CID 81062273
2-bromo-N,N-bis(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 61217446
2-bromo-N-[(4-bromophenyl)methyl]-N,4-dimethylbenzenesulfonamide
CID 46567304
2-bromo-N,4-dimethyl-N-(1-phenylethyl)benzenesulfonamide
CID 60732273
N-(3-amino-4-methylpentyl)-2-bromo-N,4-dimethylbenzenesulfonamide;hydrochloride
CID 119992368
N-benzyl-2-bromo-N-ethyl-4-methylbenzenesulfonamide
CID 60731895
2-bromo-N-ethyl-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 54878608
2-bromo-N-(2-hydroxyethyl)-4-methyl-N-propan-2-ylbenzenesulfonamide
CID 43574659
N-(2-aminoethyl)-2-bromo-N-ethyl-4-methylbenzenesulfonamide
CID 114231124

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-methoxy-N,4-dimethylbenzenesulfonamide?
The IUPAC name of 2-bromo-N-methoxy-N,4-dimethylbenzenesulfonamide (CID 60765176) is 2-bromo-N-methoxy-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-N-methoxy-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for 2-bromo-N-methoxy-N,4-dimethylbenzenesulfonamide is CON(C)S(=O)(=O)c1ccc(C)cc1Br.
What is the InChIKey of 2-bromo-N-methoxy-N,4-dimethylbenzenesulfonamide?
The InChIKey is HXFMHBPUEPSSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO3S/c1-7-4-5-9(8(10)6-7)15(12,13)11(2)14-3/h4-6H,1-3H3.
What are the key properties of 2-bromo-N-methoxy-N,4-dimethylbenzenesulfonamide?
2-bromo-N-methoxy-N,4-dimethylbenzenesulfonamide has a molecular weight of 294.17 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-methoxy-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 60765176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).