N-[2-[[(2S)-butan-2-yl]sulfamoyl]ethyl]-4-fluorobenzamide

C13H19FN2O3S — CID 7618375

IUPACN-[2-[[(2S)-butan-2-yl]sulfamoyl]ethyl]-4-fluorobenzamide
SMILESCC[C@H](C)NS(=O)(=O)CCNC(=O)c1ccc(F)cc1
InChIInChI=1S/C13H19FN2O3S/c1-3-10(2)16-20(18,19)9-8-15-13(17)11-4-6-12(14)7-5-11/h4-7,10,16H,3,8-9H2,1-2H3,(H,15,17)/t10-/m0/s1
InChIKeyNPFKPWTWPRTDQQ-JTQLQIEISA-N
MW302.37 g/mol
LogP1.27
Rot. Bonds7

About N-[2-[[(2S)-butan-2-yl]sulfamoyl]ethyl]-4-fluorobenzamide

N-[2-[[(2S)-butan-2-yl]sulfamoyl]ethyl]-4-fluorobenzamide (PubChem CID 7618375) has the molecular formula C13H19FN2O3S and a molecular weight of 302.37 g/mol. Its IUPAC name is N-[2-[[(2S)-butan-2-yl]sulfamoyl]ethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[[(2S)-butan-2-yl]sulfamoyl]ethyl]-4-fluorobenzamide
PubChem CID7618375
Molecular FormulaC13H19FN2O3S
Molecular Weight302.37 g/mol
Exact Mass302.11
IUPAC NameN-[2-[[(2S)-butan-2-yl]sulfamoyl]ethyl]-4-fluorobenzamide
SMILESCC[C@H](C)NS(=O)(=O)CCNC(=O)c1ccc(F)cc1
InChIInChI=1S/C13H19FN2O3S/c1-3-10(2)16-20(18,19)9-8-15-13(17)11-4-6-12(14)7-5-11/h4-7,10,16H,3,8-9H2,1-2H3,(H,15,17)/t10-/m0/s1
InChIKeyNPFKPWTWPRTDQQ-JTQLQIEISA-N
XLogP1.27
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 ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[2-(2-methylpropylsulfamoyl)ethyl]benzamide
CID 7618372
N-[2-(butan-2-ylcarbamoylamino)ethyl]-4-fluorobenzamide
CID 47386650
4-(butan-2-ylsulfamoyl)-N-[2-(4-fluorophenoxy)ethyl]benzamide
CID 46597927
N-[2-(2-bromoethylsulfamoyl)ethyl]-4-fluorobenzamide
CID 7618369
4-[2-(methylsulfamoyl)ethylcarbamoyl]benzoic acid
CID 106341777
4-(aminomethyl)-N-[2-(propan-2-ylsulfamoyl)ethyl]benzamide
CID 119309219
N-[2-(dipropylsulfamoyl)ethyl]-4-fluorobenzamide
CID 7618277
4-fluoro-N-(3-methylsulfonylpropyl)benzamide
CID 60859209
4-(butan-2-ylsulfamoyl)-N-[2-(2-methoxyethoxy)ethyl]benzamide
CID 55685376
N-[2-[[(2R)-5-(diethylamino)pentan-2-yl]sulfamoyl]ethyl]-4-methoxybenzamide
CID 7618202
N-[2-[[(2S)-5-(diethylamino)pentan-2-yl]sulfamoyl]ethyl]benzamide
CID 7600988
N-[2-(methylsulfamoyl)ethyl]-4-sulfanylbenzamide
CID 114175650

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2S)-butan-2-yl]sulfamoyl]ethyl]-4-fluorobenzamide?
The IUPAC name of N-[2-[[(2S)-butan-2-yl]sulfamoyl]ethyl]-4-fluorobenzamide (CID 7618375) is N-[2-[[(2S)-butan-2-yl]sulfamoyl]ethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-[[(2S)-butan-2-yl]sulfamoyl]ethyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-[[(2S)-butan-2-yl]sulfamoyl]ethyl]-4-fluorobenzamide is CC[C@H](C)NS(=O)(=O)CCNC(=O)c1ccc(F)cc1.
What is the InChIKey of N-[2-[[(2S)-butan-2-yl]sulfamoyl]ethyl]-4-fluorobenzamide?
The InChIKey is NPFKPWTWPRTDQQ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19FN2O3S/c1-3-10(2)16-20(18,19)9-8-15-13(17)11-4-6-12(14)7-5-11/h4-7,10,16H,3,8-9H2,1-2H3,(H,15,17)/t10-/m0/s1.
What are the key properties of N-[2-[[(2S)-butan-2-yl]sulfamoyl]ethyl]-4-fluorobenzamide?
N-[2-[[(2S)-butan-2-yl]sulfamoyl]ethyl]-4-fluorobenzamide has a molecular weight of 302.37 g/mol, XLogP of 1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2S)-butan-2-yl]sulfamoyl]ethyl]-4-fluorobenzamide is sourced from PubChem (CID 7618375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).