3,5-dichloro-N-[4-(2-piperidin-1-ylethyl)phenyl]benzenesulfonamide

C19H22Cl2N2O2S — CID 71730041

IUPAC3,5-dichloro-N-[4-(2-piperidin-1-ylethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(CCN2CCCCC2)cc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C19H22Cl2N2O2S/c20-16-12-17(21)14-19(13-16)26(24,25)22-18-6-4-15(5-7-18)8-11-23-9-2-1-3-10-23/h4-7,12-14,22H,1-3,8-11H2
InChIKeyFHMDRYRAXQKQJU-UHFFFAOYSA-N
MW413.37 g/mol
LogP4.82
Rot. Bonds6

About 3,5-dichloro-N-[4-(2-piperidin-1-ylethyl)phenyl]benzenesulfonamide

3,5-dichloro-N-[4-(2-piperidin-1-ylethyl)phenyl]benzenesulfonamide (PubChem CID 71730041) has the molecular formula C19H22Cl2N2O2S and a molecular weight of 413.37 g/mol. Its IUPAC name is 3,5-dichloro-N-[4-(2-piperidin-1-ylethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-[4-(2-piperidin-1-ylethyl)phenyl]benzenesulfonamide
PubChem CID71730041
Molecular FormulaC19H22Cl2N2O2S
Molecular Weight413.37 g/mol
Exact Mass412.08
IUPAC Name3,5-dichloro-N-[4-(2-piperidin-1-ylethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(CCN2CCCCC2)cc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C19H22Cl2N2O2S/c20-16-12-17(21)14-19(13-16)26(24,25)22-18-6-4-15(5-7-18)8-11-23-9-2-1-3-10-23/h4-7,12-14,22H,1-3,8-11H2
InChIKeyFHMDRYRAXQKQJU-UHFFFAOYSA-N
XLogP4.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.37
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[4-(2-piperidin-1-ylethyl)phenyl]benzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-[4-(2-piperidin-1-ylethyl)phenyl]benzenesulfonamide (CID 71730041) is 3,5-dichloro-N-[4-(2-piperidin-1-ylethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-[4-(2-piperidin-1-ylethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-[4-(2-piperidin-1-ylethyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(CCN2CCCCC2)cc1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-[4-(2-piperidin-1-ylethyl)phenyl]benzenesulfonamide?
The InChIKey is FHMDRYRAXQKQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O2S/c20-16-12-17(21)14-19(13-16)26(24,25)22-18-6-4-15(5-7-18)8-11-23-9-2-1-3-10-23/h4-7,12-14,22H,1-3,8-11H2.
What are the key properties of 3,5-dichloro-N-[4-(2-piperidin-1-ylethyl)phenyl]benzenesulfonamide?
3,5-dichloro-N-[4-(2-piperidin-1-ylethyl)phenyl]benzenesulfonamide has a molecular weight of 413.37 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[4-(2-piperidin-1-ylethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 71730041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).