N-bromo-N-methyl-4-nitrobenzenesulfonamide

C7H7BrN2O4S — CID 134996291

IUPACN-bromo-N-methyl-4-nitrobenzenesulfonamide
SMILESCN(Br)S(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C7H7BrN2O4S/c1-9(8)15(13,14)7-4-2-6(3-5-7)10(11)12/h2-5H,1H3
InChIKeyFBVKZZZAKPYSNQ-UHFFFAOYSA-N
MW295.11 g/mol
LogP1.53
Rot. Bonds3

About N-bromo-N-methyl-4-nitrobenzenesulfonamide

N-bromo-N-methyl-4-nitrobenzenesulfonamide (PubChem CID 134996291) has the molecular formula C7H7BrN2O4S and a molecular weight of 295.11 g/mol. Its IUPAC name is N-bromo-N-methyl-4-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-bromo-N-methyl-4-nitrobenzenesulfonamide
PubChem CID134996291
Molecular FormulaC7H7BrN2O4S
Molecular Weight295.11 g/mol
Exact Mass293.93
IUPAC NameN-bromo-N-methyl-4-nitrobenzenesulfonamide
SMILESCN(Br)S(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C7H7BrN2O4S/c1-9(8)15(13,14)7-4-2-6(3-5-7)10(11)12/h2-5H,1H3
InChIKeyFBVKZZZAKPYSNQ-UHFFFAOYSA-N
XLogP1.53
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.11
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-bromo-N-methyl-4-nitrobenzenesulfonamide 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-(2-bromoethyl)-N-methyl-4-nitrobenzenesulfonamide
CID 106441866
1-nitro-4-propan-2-ylsulfonylbenzene
CID 4228077
tert-butyl-(4-nitrophenyl)sulfonylcarbamic acid
CID 130408898
N-(1-cyclopropylethyl)-N-methyl-4-nitrobenzenesulfonamide
CID 47149207
4-amino-N,N-di(propan-2-yl)benzenesulfonamide;4-nitro-N,N-di(propan-2-yl)benzenesulfonamide
CID 163672209
N-methyl-N-(4-methylphenyl)sulfonyl-4-nitrobenzamide
CID 138964828
N-(4-chlorophenyl)-N-ethyl-4-nitrobenzenesulfonamide
CID 86258856
N-(4-acetylphenyl)-N-methyl-4-nitrobenzenesulfonamide
CID 11537316
ethyl-(4-nitrophenyl)sulfonylcarbamic acid
CID 175264245
N-ethyl-4-nitro-N-pentan-3-ylbenzenesulfonamide
CID 142401985
N-(2-aminoethyl)-N-[2-[2-aminoethyl-(4-nitrophenyl)sulfonylamino]ethyl]-4-nitrobenzenesulfonamide
CID 154451677
N-(3-fluorophenyl)-N-methyl-4-nitrobenzenesulfonamide
CID 99695445

Frequently Asked Questions

What is the IUPAC name of N-bromo-N-methyl-4-nitrobenzenesulfonamide?
The IUPAC name of N-bromo-N-methyl-4-nitrobenzenesulfonamide (CID 134996291) is N-bromo-N-methyl-4-nitrobenzenesulfonamide.
What is the SMILES notation for N-bromo-N-methyl-4-nitrobenzenesulfonamide?
The canonical SMILES for N-bromo-N-methyl-4-nitrobenzenesulfonamide is CN(Br)S(=O)(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-bromo-N-methyl-4-nitrobenzenesulfonamide?
The InChIKey is FBVKZZZAKPYSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2O4S/c1-9(8)15(13,14)7-4-2-6(3-5-7)10(11)12/h2-5H,1H3.
What are the key properties of N-bromo-N-methyl-4-nitrobenzenesulfonamide?
N-bromo-N-methyl-4-nitrobenzenesulfonamide has a molecular weight of 295.11 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-bromo-N-methyl-4-nitrobenzenesulfonamide is sourced from PubChem (CID 134996291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).