N-(2,6-difluorophenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide

C23H27F2N3O3S — CID 55451008

IUPACN-(2,6-difluorophenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1c(F)cccc1F)c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C23H27F2N3O3S/c24-18-8-7-9-19(25)22(18)26-23(29)17-10-11-20(27-12-3-1-4-13-27)21(16-17)32(30,31)28-14-5-2-6-15-28/h7-11,16H,1-6,12-15H2,(H,26,29)
InChIKeyACMMEAFBEPDIIQ-UHFFFAOYSA-N
MW463.55 g/mol
LogP4.38
Rot. Bonds5

About N-(2,6-difluorophenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide

N-(2,6-difluorophenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 55451008) has the molecular formula C23H27F2N3O3S and a molecular weight of 463.55 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
PubChem CID55451008
Molecular FormulaC23H27F2N3O3S
Molecular Weight463.55 g/mol
Exact Mass463.17
IUPAC NameN-(2,6-difluorophenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1c(F)cccc1F)c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C23H27F2N3O3S/c24-18-8-7-9-19(25)22(18)26-23(29)17-10-11-20(27-12-3-1-4-13-27)21(16-17)32(30,31)28-14-5-2-6-15-28/h7-11,16H,1-6,12-15H2,(H,26,29)
InChIKeyACMMEAFBEPDIIQ-UHFFFAOYSA-N
XLogP4.38
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.55
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-fluorophenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 46349261
N-(3-chlorophenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 46349213
N-(3-acetylphenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 34832529
N-(3-acetamido-2-methylphenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 24673353
4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-pyridin-2-ylbenzamide
CID 24538191
N-(3-ethylphenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 46349254
N-cyclopropyl-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 27005624
N-ethyl-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 46349269
methyl 2-[(4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzoyl)amino]benzoate
CID 46349228
azepan-1-yl-(4-piperidin-1-yl-3-piperidin-1-ylsulfonylphenyl)methanone
CID 24531727
N-cyclopentyl-4-pyrrolidin-1-yl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 46349079
N-(3-phenylpropyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 46349231

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(2,6-difluorophenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide (CID 55451008) is N-(2,6-difluorophenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(2,6-difluorophenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide is O=C(Nc1c(F)cccc1F)c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-(2,6-difluorophenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is ACMMEAFBEPDIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F2N3O3S/c24-18-8-7-9-19(25)22(18)26-23(29)17-10-11-20(27-12-3-1-4-13-27)21(16-17)32(30,31)28-14-5-2-6-15-28/h7-11,16H,1-6,12-15H2,(H,26,29).
What are the key properties of N-(2,6-difluorophenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide?
N-(2,6-difluorophenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 463.55 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 55451008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).