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

C10H11BrClNO2S — CID 106546806

IUPAC3-bromo-4-chloro-N-(2-methylprop-2-enyl)benzenesulfonamide
SMILESC=C(C)CNS(=O)(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C10H11BrClNO2S/c1-7(2)6-13-16(14,15)8-3-4-10(12)9(11)5-8/h3-5,13H,1,6H2,2H3
InChIKeyQVZKOUPUZCJTCB-UHFFFAOYSA-N
MW324.63 g/mol
LogP2.96
Rot. Bonds4

About 3-bromo-4-chloro-N-(2-methylprop-2-enyl)benzenesulfonamide

3-bromo-4-chloro-N-(2-methylprop-2-enyl)benzenesulfonamide (PubChem CID 106546806) has the molecular formula C10H11BrClNO2S and a molecular weight of 324.63 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-(2-methylprop-2-enyl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-(2-methylprop-2-enyl)benzenesulfonamide
PubChem CID106546806
Molecular FormulaC10H11BrClNO2S
Molecular Weight324.63 g/mol
Exact Mass322.94
IUPAC Name3-bromo-4-chloro-N-(2-methylprop-2-enyl)benzenesulfonamide
SMILESC=C(C)CNS(=O)(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C10H11BrClNO2S/c1-7(2)6-13-16(14,15)8-3-4-10(12)9(11)5-8/h3-5,13H,1,6H2,2H3
InChIKeyQVZKOUPUZCJTCB-UHFFFAOYSA-N
XLogP2.96
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.63
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-(2-methylprop-2-enylsulfamoyl)benzoic acid
CID 114615359
2-[(3-bromo-4-chlorophenyl)sulfonylamino]-N,N-diethylacetamide
CID 106545765
4-bromo-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114616540
2-chloro-4-(2-methylprop-2-enylsulfamoyl)benzoic acid
CID 107090333
3-bromo-4-chloro-N-(3-methylbut-2-enyl)benzenesulfonamide
CID 106546881
3-bromo-4-chloro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 106546244
3-amino-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114615116
3-[(3-bromo-4-chlorophenyl)sulfonylamino]propanoic acid
CID 106605107
4-fluoro-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114616524
3-bromo-4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 106545043
3-bromo-4-chloro-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120708859
3-[(3-bromo-4-chlorophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 106545570

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-(2-methylprop-2-enyl)benzenesulfonamide?
The IUPAC name of 3-bromo-4-chloro-N-(2-methylprop-2-enyl)benzenesulfonamide (CID 106546806) is 3-bromo-4-chloro-N-(2-methylprop-2-enyl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-4-chloro-N-(2-methylprop-2-enyl)benzenesulfonamide?
The canonical SMILES for 3-bromo-4-chloro-N-(2-methylprop-2-enyl)benzenesulfonamide is C=C(C)CNS(=O)(=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-(2-methylprop-2-enyl)benzenesulfonamide?
The InChIKey is QVZKOUPUZCJTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClNO2S/c1-7(2)6-13-16(14,15)8-3-4-10(12)9(11)5-8/h3-5,13H,1,6H2,2H3.
What are the key properties of 3-bromo-4-chloro-N-(2-methylprop-2-enyl)benzenesulfonamide?
3-bromo-4-chloro-N-(2-methylprop-2-enyl)benzenesulfonamide has a molecular weight of 324.63 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-(2-methylprop-2-enyl)benzenesulfonamide is sourced from PubChem (CID 106546806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).