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

C19H23ClN2O2S — CID 3116171

IUPAC4-chloro-N-(2-phenyl-2-piperidin-1-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(c1ccccc1)N1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C19H23ClN2O2S/c20-17-9-11-18(12-10-17)25(23,24)21-15-19(16-7-3-1-4-8-16)22-13-5-2-6-14-22/h1,3-4,7-12,19,21H,2,5-6,13-15H2
InChIKeyMMFSCIJKSNXBJC-UHFFFAOYSA-N
MW378.93 g/mol
LogP3.85
Rot. Bonds6

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

4-chloro-N-(2-phenyl-2-piperidin-1-ylethyl)benzenesulfonamide (PubChem CID 3116171) has the molecular formula C19H23ClN2O2S and a molecular weight of 378.93 g/mol. Its IUPAC name is 4-chloro-N-(2-phenyl-2-piperidin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2-phenyl-2-piperidin-1-ylethyl)benzenesulfonamide
PubChem CID3116171
Molecular FormulaC19H23ClN2O2S
Molecular Weight378.93 g/mol
Exact Mass378.12
IUPAC Name4-chloro-N-(2-phenyl-2-piperidin-1-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(c1ccccc1)N1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C19H23ClN2O2S/c20-17-9-11-18(12-10-17)25(23,24)21-15-19(16-7-3-1-4-8-16)22-13-5-2-6-14-22/h1,3-4,7-12,19,21H,2,5-6,13-15H2
InChIKeyMMFSCIJKSNXBJC-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-phenyl-2-piperidin-1-ylethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(2-phenyl-2-piperidin-1-ylethyl)benzenesulfonamide (CID 3116171) is 4-chloro-N-(2-phenyl-2-piperidin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2-phenyl-2-piperidin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2-phenyl-2-piperidin-1-ylethyl)benzenesulfonamide is O=S(=O)(NCC(c1ccccc1)N1CCCCC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(2-phenyl-2-piperidin-1-ylethyl)benzenesulfonamide?
The InChIKey is MMFSCIJKSNXBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2S/c20-17-9-11-18(12-10-17)25(23,24)21-15-19(16-7-3-1-4-8-16)22-13-5-2-6-14-22/h1,3-4,7-12,19,21H,2,5-6,13-15H2.
What are the key properties of 4-chloro-N-(2-phenyl-2-piperidin-1-ylethyl)benzenesulfonamide?
4-chloro-N-(2-phenyl-2-piperidin-1-ylethyl)benzenesulfonamide has a molecular weight of 378.93 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-phenyl-2-piperidin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 3116171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).