2-fluoro-N-(2-fluoro-4-piperidin-1-ylsulfonylphenyl)benzamide

C18H18F2N2O3S — CID 18893328

IUPAC2-fluoro-N-(2-fluoro-4-piperidin-1-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1F)c1ccccc1F
InChIInChI=1S/C18H18F2N2O3S/c19-15-7-3-2-6-14(15)18(23)21-17-9-8-13(12-16(17)20)26(24,25)22-10-4-1-5-11-22/h2-3,6-9,12H,1,4-5,10-11H2,(H,21,23)
InChIKeyOJZYQAMCEYZSQD-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.39
Rot. Bonds4

About 2-fluoro-N-(2-fluoro-4-piperidin-1-ylsulfonylphenyl)benzamide

2-fluoro-N-(2-fluoro-4-piperidin-1-ylsulfonylphenyl)benzamide (PubChem CID 18893328) has the molecular formula C18H18F2N2O3S and a molecular weight of 380.42 g/mol. Its IUPAC name is 2-fluoro-N-(2-fluoro-4-piperidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(2-fluoro-4-piperidin-1-ylsulfonylphenyl)benzamide
PubChem CID18893328
Molecular FormulaC18H18F2N2O3S
Molecular Weight380.42 g/mol
Exact Mass380.10
IUPAC Name2-fluoro-N-(2-fluoro-4-piperidin-1-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1F)c1ccccc1F
InChIInChI=1S/C18H18F2N2O3S/c19-15-7-3-2-6-14(15)18(23)21-17-9-8-13(12-16(17)20)26(24,25)22-10-4-1-5-11-22/h2-3,6-9,12H,1,4-5,10-11H2,(H,21,23)
InChIKeyOJZYQAMCEYZSQD-UHFFFAOYSA-N
XLogP3.39
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 7695778
2-fluoro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4799979
2-fluoro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 1086858
2-fluoro-N-(3-piperidin-1-ylsulfonylphenyl)benzamide
CID 7759853
4-fluoro-N-(2-fluoro-4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 18893490
2-fluoro-N-[2-fluoro-4-(phenylsulfamoyl)phenyl]benzamide
CID 18893255
N-(2,4-difluorophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 1355774
N-(2-ethoxyphenyl)-2-fluoro-5-piperidin-1-ylsulfonylbenzamide
CID 3585656
N-(2-fluoro-4-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 26522940
2-fluoro-N-[(2S)-3-methyl-1-(2-methyl-5-piperidin-1-ylsulfonylanilino)-1-oxobutan-2-yl]benzamide
CID 41141769
5-(azepan-1-ylsulfonyl)-N-(4-chlorophenyl)-2-fluorobenzamide
CID 4085587
2-fluoro-N-[2-fluoro-4-[(4-iodophenyl)sulfamoyl]phenyl]benzamide
CID 18893279

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-fluoro-4-piperidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 2-fluoro-N-(2-fluoro-4-piperidin-1-ylsulfonylphenyl)benzamide (CID 18893328) is 2-fluoro-N-(2-fluoro-4-piperidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 2-fluoro-N-(2-fluoro-4-piperidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 2-fluoro-N-(2-fluoro-4-piperidin-1-ylsulfonylphenyl)benzamide is O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1F)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(2-fluoro-4-piperidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is OJZYQAMCEYZSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O3S/c19-15-7-3-2-6-14(15)18(23)21-17-9-8-13(12-16(17)20)26(24,25)22-10-4-1-5-11-22/h2-3,6-9,12H,1,4-5,10-11H2,(H,21,23).
What are the key properties of 2-fluoro-N-(2-fluoro-4-piperidin-1-ylsulfonylphenyl)benzamide?
2-fluoro-N-(2-fluoro-4-piperidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 380.42 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-fluoro-4-piperidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 18893328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).