2-bromo-4,6-difluoro-N-(2-methylsulfanylpropyl)benzenesulfonamide

C10H12BrF2NO2S2 — CID 113466867

IUPAC2-bromo-4,6-difluoro-N-(2-methylsulfanylpropyl)benzenesulfonamide
SMILESCSC(C)CNS(=O)(=O)c1c(F)cc(F)cc1Br
InChIInChI=1S/C10H12BrF2NO2S2/c1-6(17-2)5-14-18(15,16)10-8(11)3-7(12)4-9(10)13/h3-4,6,14H,5H2,1-2H3
InChIKeyFMXIRNMMKSVRNG-UHFFFAOYSA-N
MW360.25 g/mol
LogP2.76
Rot. Bonds5

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

2-bromo-4,6-difluoro-N-(2-methylsulfanylpropyl)benzenesulfonamide (PubChem CID 113466867) has the molecular formula C10H12BrF2NO2S2 and a molecular weight of 360.25 g/mol. Its IUPAC name is 2-bromo-4,6-difluoro-N-(2-methylsulfanylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4,6-difluoro-N-(2-methylsulfanylpropyl)benzenesulfonamide
PubChem CID113466867
Molecular FormulaC10H12BrF2NO2S2
Molecular Weight360.25 g/mol
Exact Mass358.95
IUPAC Name2-bromo-4,6-difluoro-N-(2-methylsulfanylpropyl)benzenesulfonamide
SMILESCSC(C)CNS(=O)(=O)c1c(F)cc(F)cc1Br
InChIInChI=1S/C10H12BrF2NO2S2/c1-6(17-2)5-14-18(15,16)10-8(11)3-7(12)4-9(10)13/h3-4,6,14H,5H2,1-2H3
InChIKeyFMXIRNMMKSVRNG-UHFFFAOYSA-N
XLogP2.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.25
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[2-(dimethylamino)-3-methylbutyl]-4,6-difluorobenzenesulfonamide
CID 60716587
2,4,6-trifluoro-N-(2-methylpropyl)benzenesulfonamide
CID 47358735
2-bromo-4,6-difluoro-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide
CID 43606874
2-bromo-4,6-difluoro-N-(4-hydroxypentyl)benzenesulfonamide
CID 106125988
2-bromo-4,6-difluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60643600
2-bromo-4,6-difluoro-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114616375
2,4,6-trifluoro-N-[(2R)-2-hydroxypropyl]benzenesulfonamide
CID 83030525
N-(4-bromo-2-methylbutyl)-2,4,6-trifluorobenzenesulfonamide
CID 113271251
2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]-3-methylbutanoic acid
CID 43237791
2,4,6-trifluoro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120825089
3-[(2-bromo-4,6-difluorophenyl)sulfonylamino]propanoic acid
CID 43091467
methyl 3-[(2-bromo-4,6-difluorophenyl)sulfonylamino]propanoate
CID 60639552

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,6-difluoro-N-(2-methylsulfanylpropyl)benzenesulfonamide?
The IUPAC name of 2-bromo-4,6-difluoro-N-(2-methylsulfanylpropyl)benzenesulfonamide (CID 113466867) is 2-bromo-4,6-difluoro-N-(2-methylsulfanylpropyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-4,6-difluoro-N-(2-methylsulfanylpropyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-4,6-difluoro-N-(2-methylsulfanylpropyl)benzenesulfonamide is CSC(C)CNS(=O)(=O)c1c(F)cc(F)cc1Br.
What is the InChIKey of 2-bromo-4,6-difluoro-N-(2-methylsulfanylpropyl)benzenesulfonamide?
The InChIKey is FMXIRNMMKSVRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF2NO2S2/c1-6(17-2)5-14-18(15,16)10-8(11)3-7(12)4-9(10)13/h3-4,6,14H,5H2,1-2H3.
What are the key properties of 2-bromo-4,6-difluoro-N-(2-methylsulfanylpropyl)benzenesulfonamide?
2-bromo-4,6-difluoro-N-(2-methylsulfanylpropyl)benzenesulfonamide has a molecular weight of 360.25 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,6-difluoro-N-(2-methylsulfanylpropyl)benzenesulfonamide is sourced from PubChem (CID 113466867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).