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

C19H21FN2O3S — CID 7695778

IUPAC2-fluoro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccccc1F
InChIInChI=1S/C19H21FN2O3S/c1-14-9-10-15(26(24,25)22-11-5-2-6-12-22)13-18(14)21-19(23)16-7-3-4-8-17(16)20/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,21,23)
InChIKeyPZBGIXMRZBXMKC-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.56
Rot. Bonds4

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

2-fluoro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide (PubChem CID 7695778) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is 2-fluoro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
PubChem CID7695778
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC Name2-fluoro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccccc1F
InChIInChI=1S/C19H21FN2O3S/c1-14-9-10-15(26(24,25)22-11-5-2-6-12-22)13-18(14)21-19(23)16-7-3-4-8-17(16)20/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,21,23)
InChIKeyPZBGIXMRZBXMKC-UHFFFAOYSA-N
XLogP3.56
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-(2-fluoro-4-piperidin-1-ylsulfonylphenyl)benzamide
CID 18893328
2-fluoro-N-[(2S)-3-methyl-1-(2-methyl-5-piperidin-1-ylsulfonylanilino)-1-oxobutan-2-yl]benzamide
CID 41141769
2-fluoro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4799979
2-fluoro-4-methoxy-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 27844858
5-(azepan-1-ylsulfonyl)-2-methyl-N-(2-methylphenyl)benzamide
CID 53281813
2-(2-fluorophenyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4798645
2-fluoro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 1086858
2-fluoro-N-(3-piperidin-1-ylsulfonylphenyl)benzamide
CID 7759853
2-(2,6-difluoroanilino)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 78821635
N-(5-amino-2-methylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide;hydrochloride
CID 120568671
5-(azepan-1-ylsulfonyl)-2-methoxy-N-(2-methylphenyl)benzamide
CID 7946811
N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-4-methylsulfonylbenzamide
CID 18284846

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 2-fluoro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide (CID 7695778) is 2-fluoro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 2-fluoro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 2-fluoro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide is Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is PZBGIXMRZBXMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c1-14-9-10-15(26(24,25)22-11-5-2-6-12-22)13-18(14)21-19(23)16-7-3-4-8-17(16)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-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide?
2-fluoro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 376.45 g/mol, XLogP of 3.56, 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-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 7695778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).