4-chloro-N-piperidin-4-yl-2-(trifluoromethyl)benzenesulfonamide

C12H14ClF3N2O2S — CID 24952808

IUPAC4-chloro-N-piperidin-4-yl-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NC1CCNCC1)c1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C12H14ClF3N2O2S/c13-8-1-2-11(10(7-8)12(14,15)16)21(19,20)18-9-3-5-17-6-4-9/h1-2,7,9,17-18H,3-6H2
InChIKeyVSAFBMNZQOTOEJ-UHFFFAOYSA-N
MW342.77 g/mol
LogP2.39
Rot. Bonds3

About 4-chloro-N-piperidin-4-yl-2-(trifluoromethyl)benzenesulfonamide

4-chloro-N-piperidin-4-yl-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 24952808) has the molecular formula C12H14ClF3N2O2S and a molecular weight of 342.77 g/mol. Its IUPAC name is 4-chloro-N-piperidin-4-yl-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-piperidin-4-yl-2-(trifluoromethyl)benzenesulfonamide
PubChem CID24952808
Molecular FormulaC12H14ClF3N2O2S
Molecular Weight342.77 g/mol
Exact Mass342.04
IUPAC Name4-chloro-N-piperidin-4-yl-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NC1CCNCC1)c1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C12H14ClF3N2O2S/c13-8-1-2-11(10(7-8)12(14,15)16)21(19,20)18-9-3-5-17-6-4-9/h1-2,7,9,17-18H,3-6H2
InChIKeyVSAFBMNZQOTOEJ-UHFFFAOYSA-N
XLogP2.39
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.77
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-piperidin-4-yl-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-piperidin-4-yl-2-(trifluoromethyl)benzenesulfonamide (CID 24952808) is 4-chloro-N-piperidin-4-yl-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-piperidin-4-yl-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-piperidin-4-yl-2-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NC1CCNCC1)c1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of 4-chloro-N-piperidin-4-yl-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is VSAFBMNZQOTOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N2O2S/c13-8-1-2-11(10(7-8)12(14,15)16)21(19,20)18-9-3-5-17-6-4-9/h1-2,7,9,17-18H,3-6H2.
What are the key properties of 4-chloro-N-piperidin-4-yl-2-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-piperidin-4-yl-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 342.77 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-piperidin-4-yl-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 24952808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).