N-(3,5-difluorophenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide

C18H17F3N2O3S — CID 27906900

IUPACN-(3,5-difluorophenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1cc(F)cc(F)c1)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C18H17F3N2O3S/c19-13-9-14(20)11-15(10-13)22-18(24)12-4-5-16(21)17(8-12)27(25,26)23-6-2-1-3-7-23/h4-5,8-11H,1-3,6-7H2,(H,22,24)
InChIKeyLQTLKANQBOYLSV-UHFFFAOYSA-N
MW398.41 g/mol
LogP3.53
Rot. Bonds4

About N-(3,5-difluorophenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide

N-(3,5-difluorophenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 27906900) has the molecular formula C18H17F3N2O3S and a molecular weight of 398.41 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
PubChem CID27906900
Molecular FormulaC18H17F3N2O3S
Molecular Weight398.41 g/mol
Exact Mass398.09
IUPAC NameN-(3,5-difluorophenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1cc(F)cc(F)c1)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C18H17F3N2O3S/c19-13-9-14(20)11-15(10-13)22-18(24)12-4-5-16(21)17(8-12)27(25,26)23-6-2-1-3-7-23/h4-5,8-11H,1-3,6-7H2,(H,22,24)
InChIKeyLQTLKANQBOYLSV-UHFFFAOYSA-N
XLogP3.53
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-(4-fluorophenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 26594011
N-(4-acetylphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 26665148
N-(2-chlorophenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 26575157
4-fluoro-N-(3-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 3248945
4-fluoro-N'-(4-fluorobenzoyl)-3-piperidin-1-ylsulfonylbenzohydrazide
CID 55333909
N-(3-ethynylphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 43042263
4-fluoro-N-(4-phenoxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 92647831
N-(3-chloro-4-methoxyphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 26735927
4-fluoro-3-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]-N-(3,4,5-trifluorophenyl)benzamide
CID 118404422
4-bromo-N-(3-fluorophenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 1101775
4-chloro-N-(4-fluorophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2704875
4-fluoro-3-(4-fluoro-5-hydroxyazocan-1-yl)sulfonyl-N-(3,4,5-trifluorophenyl)benzamide
CID 122547391

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(3,5-difluorophenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide (CID 27906900) is N-(3,5-difluorophenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(3,5-difluorophenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide is O=C(Nc1cc(F)cc(F)c1)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-(3,5-difluorophenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is LQTLKANQBOYLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3S/c19-13-9-14(20)11-15(10-13)22-18(24)12-4-5-16(21)17(8-12)27(25,26)23-6-2-1-3-7-23/h4-5,8-11H,1-3,6-7H2,(H,22,24).
What are the key properties of N-(3,5-difluorophenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide?
N-(3,5-difluorophenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 398.41 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 27906900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).