3-chloro-2-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide

C13H18ClFN2O2S — CID 62047251

IUPAC3-chloro-2-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cccc(Cl)c1F)C1CCCNC1
InChIInChI=1S/C13H18ClFN2O2S/c1-9(10-4-3-7-16-8-10)17-20(18,19)12-6-2-5-11(14)13(12)15/h2,5-6,9-10,16-17H,3-4,7-8H2,1H3
InChIKeyMJMHOIZMHJQSFK-UHFFFAOYSA-N
MW320.82 g/mol
LogP2.15
Rot. Bonds4

About 3-chloro-2-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide

3-chloro-2-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide (PubChem CID 62047251) has the molecular formula C13H18ClFN2O2S and a molecular weight of 320.82 g/mol. Its IUPAC name is 3-chloro-2-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
PubChem CID62047251
Molecular FormulaC13H18ClFN2O2S
Molecular Weight320.82 g/mol
Exact Mass320.08
IUPAC Name3-chloro-2-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cccc(Cl)c1F)C1CCCNC1
InChIInChI=1S/C13H18ClFN2O2S/c1-9(10-4-3-7-16-8-10)17-20(18,19)12-6-2-5-11(14)13(12)15/h2,5-6,9-10,16-17H,3-4,7-8H2,1H3
InChIKeyMJMHOIZMHJQSFK-UHFFFAOYSA-N
XLogP2.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide?
The IUPAC name of 3-chloro-2-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide (CID 62047251) is 3-chloro-2-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-2-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-2-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide is CC(NS(=O)(=O)c1cccc(Cl)c1F)C1CCCNC1.
What is the InChIKey of 3-chloro-2-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide?
The InChIKey is MJMHOIZMHJQSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2O2S/c1-9(10-4-3-7-16-8-10)17-20(18,19)12-6-2-5-11(14)13(12)15/h2,5-6,9-10,16-17H,3-4,7-8H2,1H3.
What are the key properties of 3-chloro-2-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide?
3-chloro-2-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide has a molecular weight of 320.82 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 62047251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).