2-fluoro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide

C19H21FN2O4S — CID 4799979

IUPAC2-fluoro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccccc1F
InChIInChI=1S/C19H21FN2O4S/c1-26-18-10-9-14(27(24,25)22-11-5-2-6-12-22)13-17(18)21-19(23)15-7-3-4-8-16(15)20/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,21,23)
InChIKeyRDQVPCIDHGIIFN-UHFFFAOYSA-N
MW392.45 g/mol
LogP3.26
Rot. Bonds5

About 2-fluoro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide

2-fluoro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide (PubChem CID 4799979) has the molecular formula C19H21FN2O4S and a molecular weight of 392.45 g/mol. Its IUPAC name is 2-fluoro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
PubChem CID4799979
Molecular FormulaC19H21FN2O4S
Molecular Weight392.45 g/mol
Exact Mass392.12
IUPAC Name2-fluoro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccccc1F
InChIInChI=1S/C19H21FN2O4S/c1-26-18-10-9-14(27(24,25)22-11-5-2-6-12-22)13-17(18)21-19(23)15-7-3-4-8-16(15)20/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,21,23)
InChIKeyRDQVPCIDHGIIFN-UHFFFAOYSA-N
XLogP3.26
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[1-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 42906254
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylsulfanylbenzamide
CID 8746944
2-iodo-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 38020238
2-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-methylbenzamide
CID 9046765
2-fluoro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 7695778
2-fluoro-N-(2-fluoro-4-piperidin-1-ylsulfonylphenyl)benzamide
CID 18893328
5-(azepan-1-ylsulfonyl)-2-methoxy-N-(2-methylphenyl)benzamide
CID 7946811
2-(2-fluorophenoxy)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 7733293
2-methoxy-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-5-piperidin-1-ylsulfonylbenzamide
CID 28575609
2-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-methylsulfanylbenzamide
CID 16615167
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-1,6-dimethyl-2-oxopyridine-3-carboxamide
CID 46972391
N-(5-chloro-2-methoxyphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 4781950

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 2-fluoro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide (CID 4799979) is 2-fluoro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 2-fluoro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 2-fluoro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide is COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is RDQVPCIDHGIIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4S/c1-26-18-10-9-14(27(24,25)22-11-5-2-6-12-22)13-17(18)21-19(23)15-7-3-4-8-16(15)20/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,21,23).
What are the key properties of 2-fluoro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide?
2-fluoro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 392.45 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 4799979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).