N-[2-(2-bromoethylsulfamoyl)ethyl]-4-fluorobenzamide

C11H14BrFN2O3S — CID 7618369

IUPACN-[2-(2-bromoethylsulfamoyl)ethyl]-4-fluorobenzamide
SMILESO=C(NCCS(=O)(=O)NCCBr)c1ccc(F)cc1
InChIInChI=1S/C11H14BrFN2O3S/c12-5-6-15-19(17,18)8-7-14-11(16)9-1-3-10(13)4-2-9/h1-4,15H,5-8H2,(H,14,16)
InChIKeyWBMNNRNJCDPPBE-UHFFFAOYSA-N
MW353.21 g/mol
LogP0.87
Rot. Bonds7

About N-[2-(2-bromoethylsulfamoyl)ethyl]-4-fluorobenzamide

N-[2-(2-bromoethylsulfamoyl)ethyl]-4-fluorobenzamide (PubChem CID 7618369) has the molecular formula C11H14BrFN2O3S and a molecular weight of 353.21 g/mol. Its IUPAC name is N-[2-(2-bromoethylsulfamoyl)ethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(2-bromoethylsulfamoyl)ethyl]-4-fluorobenzamide
PubChem CID7618369
Molecular FormulaC11H14BrFN2O3S
Molecular Weight353.21 g/mol
Exact Mass351.99
IUPAC NameN-[2-(2-bromoethylsulfamoyl)ethyl]-4-fluorobenzamide
SMILESO=C(NCCS(=O)(=O)NCCBr)c1ccc(F)cc1
InChIInChI=1S/C11H14BrFN2O3S/c12-5-6-15-19(17,18)8-7-14-11(16)9-1-3-10(13)4-2-9/h1-4,15H,5-8H2,(H,14,16)
InChIKeyWBMNNRNJCDPPBE-UHFFFAOYSA-N
XLogP0.87
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-[2-(2-methylpropylsulfamoyl)ethyl]benzamide
CID 7618372
N-[2-[[(2S)-butan-2-yl]sulfamoyl]ethyl]-4-fluorobenzamide
CID 7618375
4-fluoro-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzamide
CID 7618448
4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide
CID 2841750
4-fluoro-N-(3-methylsulfonylpropyl)benzamide
CID 60859209
N-[2-[2-(diethylamino)ethylsulfamoyl]ethyl]benzamide
CID 7600981
N-[2-[2-(diethylamino)ethylsulfamoyl]ethyl]-4-methoxybenzamide
CID 7618195
4-fluoro-N-(2-fluoroethyl)benzamide
CID 130478179
4-[2-(methylsulfamoyl)ethylcarbamoyl]benzoic acid
CID 106341777
N-[2-(methylsulfamoyl)ethyl]-4-sulfanylbenzamide
CID 114175650
N-[2-(2-phenylethylsulfamoyl)ethyl]benzamide
CID 7423263
N-[2-(dipropylsulfamoyl)ethyl]-4-fluorobenzamide
CID 7618277

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoethylsulfamoyl)ethyl]-4-fluorobenzamide?
The IUPAC name of N-[2-(2-bromoethylsulfamoyl)ethyl]-4-fluorobenzamide (CID 7618369) is N-[2-(2-bromoethylsulfamoyl)ethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-(2-bromoethylsulfamoyl)ethyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-(2-bromoethylsulfamoyl)ethyl]-4-fluorobenzamide is O=C(NCCS(=O)(=O)NCCBr)c1ccc(F)cc1.
What is the InChIKey of N-[2-(2-bromoethylsulfamoyl)ethyl]-4-fluorobenzamide?
The InChIKey is WBMNNRNJCDPPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O3S/c12-5-6-15-19(17,18)8-7-14-11(16)9-1-3-10(13)4-2-9/h1-4,15H,5-8H2,(H,14,16).
What are the key properties of N-[2-(2-bromoethylsulfamoyl)ethyl]-4-fluorobenzamide?
N-[2-(2-bromoethylsulfamoyl)ethyl]-4-fluorobenzamide has a molecular weight of 353.21 g/mol, XLogP of 0.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoethylsulfamoyl)ethyl]-4-fluorobenzamide is sourced from PubChem (CID 7618369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).