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

C18H19FN2O3S — CID 1086858

IUPAC2-fluoro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1F
InChIInChI=1S/C18H19FN2O3S/c19-17-7-3-2-6-16(17)18(22)20-14-8-10-15(11-9-14)25(23,24)21-12-4-1-5-13-21/h2-3,6-11H,1,4-5,12-13H2,(H,20,22)
InChIKeyTYZVCMHCELQCPO-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.25
Rot. Bonds4

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

2-fluoro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide (PubChem CID 1086858) has the molecular formula C18H19FN2O3S and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-fluoro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
PubChem CID1086858
Molecular FormulaC18H19FN2O3S
Molecular Weight362.43 g/mol
Exact Mass362.11
IUPAC Name2-fluoro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1F
InChIInChI=1S/C18H19FN2O3S/c19-17-7-3-2-6-16(17)18(22)20-14-8-10-15(11-9-14)25(23,24)21-12-4-1-5-13-21/h2-3,6-11H,1,4-5,12-13H2,(H,20,22)
InChIKeyTYZVCMHCELQCPO-UHFFFAOYSA-N
XLogP3.25
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-(3-piperidin-1-ylsulfonylphenyl)benzamide
CID 7759853
2-iodo-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 1010360
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methylbenzamide
CID 1010223
2,6-difluoro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 1247061
2-fluoro-N-(2-fluoro-4-piperidin-1-ylsulfonylphenyl)benzamide
CID 18893328
2-[(4-fluorophenyl)sulfonylamino]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 2337095
5-(azepan-1-ylsulfonyl)-N-(4-chlorophenyl)-2-fluorobenzamide
CID 4085587
2-fluoro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 7695778
2-nitro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 5181244
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 55521376
N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-2-fluorobenzamide
CID 51152550
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 1007928

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 2-fluoro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide (CID 1086858) is 2-fluoro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 2-fluoro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 2-fluoro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide is O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is TYZVCMHCELQCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3S/c19-17-7-3-2-6-16(17)18(22)20-14-8-10-15(11-9-14)25(23,24)21-12-4-1-5-13-21/h2-3,6-11H,1,4-5,12-13H2,(H,20,22).
What are the key properties of 2-fluoro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
2-fluoro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 362.43 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 1086858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).