3-chloro-N-[4-(2-piperidin-1-ylethyl)phenyl]benzenesulfonamide

C19H23ClN2O2S — CID 71730046

IUPAC3-chloro-N-[4-(2-piperidin-1-ylethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(CCN2CCCCC2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C19H23ClN2O2S/c20-17-5-4-6-19(15-17)25(23,24)21-18-9-7-16(8-10-18)11-14-22-12-2-1-3-13-22/h4-10,15,21H,1-3,11-14H2
InChIKeyVWJYATPZBLSDFZ-UHFFFAOYSA-N
MW378.93 g/mol
LogP4.17
Rot. Bonds6

About 3-chloro-N-[4-(2-piperidin-1-ylethyl)phenyl]benzenesulfonamide

3-chloro-N-[4-(2-piperidin-1-ylethyl)phenyl]benzenesulfonamide (PubChem CID 71730046) has the molecular formula C19H23ClN2O2S and a molecular weight of 378.93 g/mol. Its IUPAC name is 3-chloro-N-[4-(2-piperidin-1-ylethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[4-(2-piperidin-1-ylethyl)phenyl]benzenesulfonamide
PubChem CID71730046
Molecular FormulaC19H23ClN2O2S
Molecular Weight378.93 g/mol
Exact Mass378.12
IUPAC Name3-chloro-N-[4-(2-piperidin-1-ylethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(CCN2CCCCC2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C19H23ClN2O2S/c20-17-5-4-6-19(15-17)25(23,24)21-18-9-7-16(8-10-18)11-14-22-12-2-1-3-13-22/h4-10,15,21H,1-3,11-14H2
InChIKeyVWJYATPZBLSDFZ-UHFFFAOYSA-N
XLogP4.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.93
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(2-piperidin-1-ylethyl)phenyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[4-(2-piperidin-1-ylethyl)phenyl]benzenesulfonamide (CID 71730046) is 3-chloro-N-[4-(2-piperidin-1-ylethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[4-(2-piperidin-1-ylethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[4-(2-piperidin-1-ylethyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(CCN2CCCCC2)cc1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[4-(2-piperidin-1-ylethyl)phenyl]benzenesulfonamide?
The InChIKey is VWJYATPZBLSDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2S/c20-17-5-4-6-19(15-17)25(23,24)21-18-9-7-16(8-10-18)11-14-22-12-2-1-3-13-22/h4-10,15,21H,1-3,11-14H2.
What are the key properties of 3-chloro-N-[4-(2-piperidin-1-ylethyl)phenyl]benzenesulfonamide?
3-chloro-N-[4-(2-piperidin-1-ylethyl)phenyl]benzenesulfonamide has a molecular weight of 378.93 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(2-piperidin-1-ylethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 71730046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).