2-bromo-4,6-difluoro-N-(2-methylprop-2-enyl)benzenesulfonamide

C10H10BrF2NO2S — CID 114616375

IUPAC2-bromo-4,6-difluoro-N-(2-methylprop-2-enyl)benzenesulfonamide
SMILESC=C(C)CNS(=O)(=O)c1c(F)cc(F)cc1Br
InChIInChI=1S/C10H10BrF2NO2S/c1-6(2)5-14-17(15,16)10-8(11)3-7(12)4-9(10)13/h3-4,14H,1,5H2,2H3
InChIKeyRXHFRIPMOWWBEE-UHFFFAOYSA-N
MW326.16 g/mol
LogP2.58
Rot. Bonds4

About 2-bromo-4,6-difluoro-N-(2-methylprop-2-enyl)benzenesulfonamide

2-bromo-4,6-difluoro-N-(2-methylprop-2-enyl)benzenesulfonamide (PubChem CID 114616375) has the molecular formula C10H10BrF2NO2S and a molecular weight of 326.16 g/mol. Its IUPAC name is 2-bromo-4,6-difluoro-N-(2-methylprop-2-enyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4,6-difluoro-N-(2-methylprop-2-enyl)benzenesulfonamide
PubChem CID114616375
Molecular FormulaC10H10BrF2NO2S
Molecular Weight326.16 g/mol
Exact Mass324.96
IUPAC Name2-bromo-4,6-difluoro-N-(2-methylprop-2-enyl)benzenesulfonamide
SMILESC=C(C)CNS(=O)(=O)c1c(F)cc(F)cc1Br
InChIInChI=1S/C10H10BrF2NO2S/c1-6(2)5-14-17(15,16)10-8(11)3-7(12)4-9(10)13/h3-4,14H,1,5H2,2H3
InChIKeyRXHFRIPMOWWBEE-UHFFFAOYSA-N
XLogP2.58
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.16
LogP ≤ 52.58
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

4-fluoro-2,6-dimethyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 107326601
2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]-N-propylacetamide
CID 60628452
2-bromo-4,6-difluoro-N-(4-hydroxy-2,2-dimethylbutyl)benzenesulfonamide
CID 106143817
2-bromo-4,6-difluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60643600
3-[(2-bromo-4,6-difluorophenyl)sulfonylamino]propanoic acid
CID 43091467
methyl 3-[(2-bromo-4,6-difluorophenyl)sulfonylamino]propanoate
CID 60639552
2-bromo-4,6-difluoro-N-(4-hydroxypentyl)benzenesulfonamide
CID 106125988
2-bromo-4,6-difluoro-N-(2-methylsulfanylpropyl)benzenesulfonamide
CID 113466867
2-bromo-4,6-difluoro-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide
CID 43606874
2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]ethyl carbamate
CID 83203648
2-bromo-4,6-difluoro-N',N'-dimethylbenzenesulfonohydrazide
CID 83022882
2-bromo-N-[2-(dimethylamino)-3-methylbutyl]-4,6-difluorobenzenesulfonamide
CID 60716587

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,6-difluoro-N-(2-methylprop-2-enyl)benzenesulfonamide?
The IUPAC name of 2-bromo-4,6-difluoro-N-(2-methylprop-2-enyl)benzenesulfonamide (CID 114616375) is 2-bromo-4,6-difluoro-N-(2-methylprop-2-enyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-4,6-difluoro-N-(2-methylprop-2-enyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-4,6-difluoro-N-(2-methylprop-2-enyl)benzenesulfonamide is C=C(C)CNS(=O)(=O)c1c(F)cc(F)cc1Br.
What is the InChIKey of 2-bromo-4,6-difluoro-N-(2-methylprop-2-enyl)benzenesulfonamide?
The InChIKey is RXHFRIPMOWWBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF2NO2S/c1-6(2)5-14-17(15,16)10-8(11)3-7(12)4-9(10)13/h3-4,14H,1,5H2,2H3.
What are the key properties of 2-bromo-4,6-difluoro-N-(2-methylprop-2-enyl)benzenesulfonamide?
2-bromo-4,6-difluoro-N-(2-methylprop-2-enyl)benzenesulfonamide has a molecular weight of 326.16 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,6-difluoro-N-(2-methylprop-2-enyl)benzenesulfonamide is sourced from PubChem (CID 114616375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).