4-fluoro-N-[2-(2-methylpropylsulfamoyl)ethyl]benzamide

C13H19FN2O3S — CID 7618372

IUPAC4-fluoro-N-[2-(2-methylpropylsulfamoyl)ethyl]benzamide
SMILESCC(C)CNS(=O)(=O)CCNC(=O)c1ccc(F)cc1
InChIInChI=1S/C13H19FN2O3S/c1-10(2)9-16-20(18,19)8-7-15-13(17)11-3-5-12(14)6-4-11/h3-6,10,16H,7-9H2,1-2H3,(H,15,17)
InChIKeyMHNSMPZBFLYTPJ-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.13
Rot. Bonds7

About 4-fluoro-N-[2-(2-methylpropylsulfamoyl)ethyl]benzamide

4-fluoro-N-[2-(2-methylpropylsulfamoyl)ethyl]benzamide (PubChem CID 7618372) has the molecular formula C13H19FN2O3S and a molecular weight of 302.37 g/mol. Its IUPAC name is 4-fluoro-N-[2-(2-methylpropylsulfamoyl)ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(2-methylpropylsulfamoyl)ethyl]benzamide
PubChem CID7618372
Molecular FormulaC13H19FN2O3S
Molecular Weight302.37 g/mol
Exact Mass302.11
IUPAC Name4-fluoro-N-[2-(2-methylpropylsulfamoyl)ethyl]benzamide
SMILESCC(C)CNS(=O)(=O)CCNC(=O)c1ccc(F)cc1
InChIInChI=1S/C13H19FN2O3S/c1-10(2)9-16-20(18,19)8-7-15-13(17)11-3-5-12(14)6-4-11/h3-6,10,16H,7-9H2,1-2H3,(H,15,17)
InChIKeyMHNSMPZBFLYTPJ-UHFFFAOYSA-N
XLogP1.13
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-bromoethylsulfamoyl)ethyl]-4-fluorobenzamide
CID 7618369
N-[2-[[(2S)-butan-2-yl]sulfamoyl]ethyl]-4-fluorobenzamide
CID 7618375
4-fluoro-N-(3-methylsulfonylpropyl)benzamide
CID 60859209
4-fluoro-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzamide
CID 7618448
N-[2-[[(2R)-2-aminopropanoyl]amino]ethyl]-4-fluorobenzamide
CID 119299559
4-[2-(methylsulfamoyl)ethylcarbamoyl]benzoic acid
CID 106341777
N-[2-(methylsulfamoyl)ethyl]-4-sulfanylbenzamide
CID 114175650
4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide
CID 2841750
N-[2-(4-fluorophenyl)ethyl]-3-(2-methylpropylsulfamoyl)benzamide
CID 109062677
N-(2-aminoethyl)-4-(2-methylpropylsulfamoyl)benzamide
CID 119384028
N-[2-(dipropylsulfamoyl)ethyl]-4-fluorobenzamide
CID 7618277
4-amino-N-[2-(methylsulfamoyl)ethyl]benzamide
CID 106332797

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(2-methylpropylsulfamoyl)ethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-(2-methylpropylsulfamoyl)ethyl]benzamide (CID 7618372) is 4-fluoro-N-[2-(2-methylpropylsulfamoyl)ethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-(2-methylpropylsulfamoyl)ethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-(2-methylpropylsulfamoyl)ethyl]benzamide is CC(C)CNS(=O)(=O)CCNC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-(2-methylpropylsulfamoyl)ethyl]benzamide?
The InChIKey is MHNSMPZBFLYTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3S/c1-10(2)9-16-20(18,19)8-7-15-13(17)11-3-5-12(14)6-4-11/h3-6,10,16H,7-9H2,1-2H3,(H,15,17).
What are the key properties of 4-fluoro-N-[2-(2-methylpropylsulfamoyl)ethyl]benzamide?
4-fluoro-N-[2-(2-methylpropylsulfamoyl)ethyl]benzamide has a molecular weight of 302.37 g/mol, XLogP of 1.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(2-methylpropylsulfamoyl)ethyl]benzamide is sourced from PubChem (CID 7618372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).