4-bromo-N-(2-methylprop-2-enyl)benzenesulfonamide

C10H12BrNO2S — CID 114616540

IUPAC4-bromo-N-(2-methylprop-2-enyl)benzenesulfonamide
SMILESC=C(C)CNS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C10H12BrNO2S/c1-8(2)7-12-15(13,14)10-5-3-9(11)4-6-10/h3-6,12H,1,7H2,2H3
InChIKeyVBHAXQXIQMYOSW-UHFFFAOYSA-N
MW290.18 g/mol
LogP2.30
Rot. Bonds4

About 4-bromo-N-(2-methylprop-2-enyl)benzenesulfonamide

4-bromo-N-(2-methylprop-2-enyl)benzenesulfonamide (PubChem CID 114616540) has the molecular formula C10H12BrNO2S and a molecular weight of 290.18 g/mol. Its IUPAC name is 4-bromo-N-(2-methylprop-2-enyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(2-methylprop-2-enyl)benzenesulfonamide
PubChem CID114616540
Molecular FormulaC10H12BrNO2S
Molecular Weight290.18 g/mol
Exact Mass288.98
IUPAC Name4-bromo-N-(2-methylprop-2-enyl)benzenesulfonamide
SMILESC=C(C)CNS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C10H12BrNO2S/c1-8(2)7-12-15(13,14)10-5-3-9(11)4-6-10/h3-6,12H,1,7H2,2H3
InChIKeyVBHAXQXIQMYOSW-UHFFFAOYSA-N
XLogP2.30
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-bromo-N-(2-methylprop-2-enyl)benzenesulfonamide 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-fluoro-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114616524
3-bromo-4-chloro-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 106546806
N-(2-methylprop-2-enyl)-4-propylbenzenesulfonamide
CID 114616423
methyl 2-[(4-bromophenyl)sulfonylamino]acetate
CID 669307
4-bromo-N-(3-methyl-2-oxobutyl)benzenesulfonamide
CID 64996479
N-(4-acetamidophenyl)-2-[(4-bromophenyl)sulfonylamino]acetamide
CID 1316272
3-amino-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114615116
prop-1-en-2-yl N-[2-[(4-bromophenyl)sulfonylamino]ethyl]carbamate
CID 89104122
2-[(4-bromophenyl)sulfonylamino]-N-(2-methylpropyl)acetamide
CID 112990736
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 31836630
2-chloro-5-(2-methylprop-2-enylsulfamoyl)benzoic acid
CID 114615359
4-bromo-N-[8-[(4-bromophenyl)sulfonylamino]octyl]benzenesulfonamide
CID 3544635

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-methylprop-2-enyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(2-methylprop-2-enyl)benzenesulfonamide (CID 114616540) is 4-bromo-N-(2-methylprop-2-enyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(2-methylprop-2-enyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(2-methylprop-2-enyl)benzenesulfonamide is C=C(C)CNS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(2-methylprop-2-enyl)benzenesulfonamide?
The InChIKey is VBHAXQXIQMYOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2S/c1-8(2)7-12-15(13,14)10-5-3-9(11)4-6-10/h3-6,12H,1,7H2,2H3.
What are the key properties of 4-bromo-N-(2-methylprop-2-enyl)benzenesulfonamide?
4-bromo-N-(2-methylprop-2-enyl)benzenesulfonamide has a molecular weight of 290.18 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-methylprop-2-enyl)benzenesulfonamide is sourced from PubChem (CID 114616540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).