3-amino-N-[2-(4-fluorophenyl)sulfonylethyl]butanamide;hydrochloride

C12H18ClFN2O3S — CID 119814314

IUPAC3-amino-N-[2-(4-fluorophenyl)sulfonylethyl]butanamide;hydrochloride
SMILESCC(N)CC(=O)NCCS(=O)(=O)c1ccc(F)cc1.Cl
InChIInChI=1S/C12H17FN2O3S.ClH/c1-9(14)8-12(16)15-6-7-19(17,18)11-4-2-10(13)3-5-11;/h2-5,9H,6-8,14H2,1H3,(H,15,16);1H
InChIKeyUYGPHBIDWMNFRE-UHFFFAOYSA-N
MW324.81 g/mol
LogP0.87
Rot. Bonds6

About 3-amino-N-[2-(4-fluorophenyl)sulfonylethyl]butanamide;hydrochloride

3-amino-N-[2-(4-fluorophenyl)sulfonylethyl]butanamide;hydrochloride (PubChem CID 119814314) has the molecular formula C12H18ClFN2O3S and a molecular weight of 324.81 g/mol. Its IUPAC name is 3-amino-N-[2-(4-fluorophenyl)sulfonylethyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(4-fluorophenyl)sulfonylethyl]butanamide;hydrochloride
PubChem CID119814314
Molecular FormulaC12H18ClFN2O3S
Molecular Weight324.81 g/mol
Exact Mass324.07
IUPAC Name3-amino-N-[2-(4-fluorophenyl)sulfonylethyl]butanamide;hydrochloride
SMILESCC(N)CC(=O)NCCS(=O)(=O)c1ccc(F)cc1.Cl
InChIInChI=1S/C12H17FN2O3S.ClH/c1-9(14)8-12(16)15-6-7-19(17,18)11-4-2-10(13)3-5-11;/h2-5,9H,6-8,14H2,1H3,(H,15,16);1H
InChIKeyUYGPHBIDWMNFRE-UHFFFAOYSA-N
XLogP0.87
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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3-amino-N-(2-ethylsulfonylethyl)butanamide
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CID 9391675
3-amino-N-[2-(2,4-difluorophenyl)propyl]butanamide;hydrochloride
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4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]-3-methoxybutanamide
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3-amino-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]butanamide;dihydrochloride
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N-[2-(4-fluorophenyl)sulfonylethyl]-3-(2-methylpyrazol-3-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-fluorophenyl)sulfonylethyl]butanamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-(4-fluorophenyl)sulfonylethyl]butanamide;hydrochloride (CID 119814314) is 3-amino-N-[2-(4-fluorophenyl)sulfonylethyl]butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-(4-fluorophenyl)sulfonylethyl]butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-(4-fluorophenyl)sulfonylethyl]butanamide;hydrochloride is CC(N)CC(=O)NCCS(=O)(=O)c1ccc(F)cc1.Cl.
What is the InChIKey of 3-amino-N-[2-(4-fluorophenyl)sulfonylethyl]butanamide;hydrochloride?
The InChIKey is UYGPHBIDWMNFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3S.ClH/c1-9(14)8-12(16)15-6-7-19(17,18)11-4-2-10(13)3-5-11;/h2-5,9H,6-8,14H2,1H3,(H,15,16);1H.
What are the key properties of 3-amino-N-[2-(4-fluorophenyl)sulfonylethyl]butanamide;hydrochloride?
3-amino-N-[2-(4-fluorophenyl)sulfonylethyl]butanamide;hydrochloride has a molecular weight of 324.81 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(4-fluorophenyl)sulfonylethyl]butanamide;hydrochloride is sourced from PubChem (CID 119814314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).