4-bromo-N-[2-(dimethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide

C10H14BrFN2O4S2 — CID 106341837

IUPAC4-bromo-N-[2-(dimethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide
SMILESCN(C)S(=O)(=O)CCNS(=O)(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C10H14BrFN2O4S2/c1-14(2)19(15,16)6-5-13-20(17,18)8-3-4-9(11)10(12)7-8/h3-4,7,13H,5-6H2,1-2H3
InChIKeyJEBRTOZYEVTEIS-UHFFFAOYSA-N
MW389.27 g/mol
LogP0.76
Rot. Bonds6

About 4-bromo-N-[2-(dimethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide

4-bromo-N-[2-(dimethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide (PubChem CID 106341837) has the molecular formula C10H14BrFN2O4S2 and a molecular weight of 389.27 g/mol. Its IUPAC name is 4-bromo-N-[2-(dimethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[2-(dimethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide
PubChem CID106341837
Molecular FormulaC10H14BrFN2O4S2
Molecular Weight389.27 g/mol
Exact Mass387.96
IUPAC Name4-bromo-N-[2-(dimethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide
SMILESCN(C)S(=O)(=O)CCNS(=O)(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C10H14BrFN2O4S2/c1-14(2)19(15,16)6-5-13-20(17,18)8-3-4-9(11)10(12)7-8/h3-4,7,13H,5-6H2,1-2H3
InChIKeyJEBRTOZYEVTEIS-UHFFFAOYSA-N
XLogP0.76
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.27
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(2-ethylsulfonylethyl)-3-fluorobenzenesulfonamide
CID 113242592
4-bromo-3-fluoro-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride
CID 119973263
3-amino-N-[2-(dimethylsulfamoyl)ethyl]-5-fluoro-4-methylbenzenesulfonamide
CID 106333627
4-bromo-3-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 113431383
N-(2-amino-2-methylpropyl)-4-bromo-3-fluorobenzenesulfonamide
CID 103829047
4-amino-N-[2-(dimethylsulfamoyl)ethyl]-2,6-difluorobenzenesulfonamide
CID 106333567
4-bromo-N-[2-(cyclopenten-1-yl)ethyl]-3-fluorobenzenesulfonamide
CID 103844649
N-[2-(dimethylsulfamoyl)ethyl]-6-(methylamino)pyridine-3-sulfonamide
CID 106342326
N-[2-(dimethylsulfamoyl)ethyl]-1-methylbenzotriazole-5-sulfonamide
CID 166239242
3-(aminomethyl)-N-[2-(dimethylsulfamoyl)ethyl]benzenesulfonamide
CID 106335914
2-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-4-sulfonamide
CID 106336285
4-bromo-3-fluoro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzenesulfonamide
CID 103697368

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(dimethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide?
The IUPAC name of 4-bromo-N-[2-(dimethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide (CID 106341837) is 4-bromo-N-[2-(dimethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[2-(dimethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide?
The canonical SMILES for 4-bromo-N-[2-(dimethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide is CN(C)S(=O)(=O)CCNS(=O)(=O)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-N-[2-(dimethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide?
The InChIKey is JEBRTOZYEVTEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrFN2O4S2/c1-14(2)19(15,16)6-5-13-20(17,18)8-3-4-9(11)10(12)7-8/h3-4,7,13H,5-6H2,1-2H3.
What are the key properties of 4-bromo-N-[2-(dimethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide?
4-bromo-N-[2-(dimethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide has a molecular weight of 389.27 g/mol, XLogP of 0.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(dimethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 106341837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).