N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzamide

C18H19FN2O3S — CID 2704882

IUPACN-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C18H19FN2O3S/c19-15-6-8-16(9-7-15)20-18(22)14-4-10-17(11-5-14)25(23,24)21-12-2-1-3-13-21/h4-11H,1-3,12-13H2,(H,20,22)
InChIKeyVGMGBEUUSUCFBZ-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.25
Rot. Bonds4

About N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzamide

N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzamide (PubChem CID 2704882) has the molecular formula C18H19FN2O3S and a molecular weight of 362.43 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzamide
PubChem CID2704882
Molecular FormulaC18H19FN2O3S
Molecular Weight362.43 g/mol
Exact Mass362.11
IUPAC NameN-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C18H19FN2O3S/c19-15-6-8-16(9-7-15)20-18(22)14-4-10-17(11-5-14)25(23,24)21-12-2-1-3-13-21/h4-11H,1-3,12-13H2,(H,20,22)
InChIKeyVGMGBEUUSUCFBZ-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

1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539
4-pyrrolidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252425
3,5-difluoro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 9415065
4-(azepan-1-ylsulfonyl)-N-[4-[4-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]phenyl]phenyl]benzamide
CID 3537523
N-(4-fluorophenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1157332
N-(4-acetylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 650028
4-fluoro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 1010611
4-(azepan-1-ylsulfonyl)-N-(3-fluorophenyl)benzamide
CID 2665307
4-(methanesulfonamido)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 2978605
N-(4-nitrophenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 2965881
N-(4-ethylphenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 26697285
4-(methanesulfonamido)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 2976948

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzamide (CID 2704882) is N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzamide is O=C(Nc1ccc(F)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzamide?
The InChIKey is VGMGBEUUSUCFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3S/c19-15-6-8-16(9-7-15)20-18(22)14-4-10-17(11-5-14)25(23,24)21-12-2-1-3-13-21/h4-11H,1-3,12-13H2,(H,20,22).
What are the key properties of N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzamide?
N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzamide 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 N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2704882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).