2,4-difluoro-N-[2-(piperidine-1-carbonyl)phenyl]benzenesulfonamide

C18H18F2N2O3S — CID 2373620

IUPAC2,4-difluoro-N-[2-(piperidine-1-carbonyl)phenyl]benzenesulfonamide
SMILESO=C(c1ccccc1NS(=O)(=O)c1ccc(F)cc1F)N1CCCCC1
InChIInChI=1S/C18H18F2N2O3S/c19-13-8-9-17(15(20)12-13)26(24,25)21-16-7-3-2-6-14(16)18(23)22-10-4-1-5-11-22/h2-3,6-9,12,21H,1,4-5,10-11H2
InChIKeyOWPXQUNNAVSNSL-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.39
Rot. Bonds4

About 2,4-difluoro-N-[2-(piperidine-1-carbonyl)phenyl]benzenesulfonamide

2,4-difluoro-N-[2-(piperidine-1-carbonyl)phenyl]benzenesulfonamide (PubChem CID 2373620) has the molecular formula C18H18F2N2O3S and a molecular weight of 380.42 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-(piperidine-1-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-[2-(piperidine-1-carbonyl)phenyl]benzenesulfonamide
PubChem CID2373620
Molecular FormulaC18H18F2N2O3S
Molecular Weight380.42 g/mol
Exact Mass380.10
IUPAC Name2,4-difluoro-N-[2-(piperidine-1-carbonyl)phenyl]benzenesulfonamide
SMILESO=C(c1ccccc1NS(=O)(=O)c1ccc(F)cc1F)N1CCCCC1
InChIInChI=1S/C18H18F2N2O3S/c19-13-8-9-17(15(20)12-13)26(24,25)21-16-7-3-2-6-14(16)18(23)22-10-4-1-5-11-22/h2-3,6-9,12,21H,1,4-5,10-11H2
InChIKeyOWPXQUNNAVSNSL-UHFFFAOYSA-N
XLogP3.39
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-(piperidine-1-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-[2-(piperidine-1-carbonyl)phenyl]benzenesulfonamide (CID 2373620) is 2,4-difluoro-N-[2-(piperidine-1-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-[2-(piperidine-1-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-[2-(piperidine-1-carbonyl)phenyl]benzenesulfonamide is O=C(c1ccccc1NS(=O)(=O)c1ccc(F)cc1F)N1CCCCC1.
What is the InChIKey of 2,4-difluoro-N-[2-(piperidine-1-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is OWPXQUNNAVSNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O3S/c19-13-8-9-17(15(20)12-13)26(24,25)21-16-7-3-2-6-14(16)18(23)22-10-4-1-5-11-22/h2-3,6-9,12,21H,1,4-5,10-11H2.
What are the key properties of 2,4-difluoro-N-[2-(piperidine-1-carbonyl)phenyl]benzenesulfonamide?
2,4-difluoro-N-[2-(piperidine-1-carbonyl)phenyl]benzenesulfonamide has a molecular weight of 380.42 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[2-(piperidine-1-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 2373620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).