4-chloro-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide

C24H32ClN3O2S — CID 44526700

IUPAC4-chloro-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(CCN2CCC(N3CCCCC3)CC2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C24H32ClN3O2S/c25-21-7-9-24(10-8-21)31(29,30)26-22-6-4-5-20(19-22)11-16-27-17-12-23(13-18-27)28-14-2-1-3-15-28/h4-10,19,23,26H,1-3,11-18H2
InChIKeyBROGTOOKTQMECH-UHFFFAOYSA-N
MW462.06 g/mol
LogP4.63
Rot. Bonds7

About 4-chloro-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide

4-chloro-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide (PubChem CID 44526700) has the molecular formula C24H32ClN3O2S and a molecular weight of 462.06 g/mol. Its IUPAC name is 4-chloro-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide
PubChem CID44526700
Molecular FormulaC24H32ClN3O2S
Molecular Weight462.06 g/mol
Exact Mass461.19
IUPAC Name4-chloro-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(CCN2CCC(N3CCCCC3)CC2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C24H32ClN3O2S/c25-21-7-9-24(10-8-21)31(29,30)26-22-6-4-5-20(19-22)11-16-27-17-12-23(13-18-27)28-14-2-1-3-15-28/h4-10,19,23,26H,1-3,11-18H2
InChIKeyBROGTOOKTQMECH-UHFFFAOYSA-N
XLogP4.63
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.06
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide (CID 44526700) is 4-chloro-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide is O=S(=O)(Nc1cccc(CCN2CCC(N3CCCCC3)CC2)c1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide?
The InChIKey is BROGTOOKTQMECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32ClN3O2S/c25-21-7-9-24(10-8-21)31(29,30)26-22-6-4-5-20(19-22)11-16-27-17-12-23(13-18-27)28-14-2-1-3-15-28/h4-10,19,23,26H,1-3,11-18H2.
What are the key properties of 4-chloro-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide?
4-chloro-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide has a molecular weight of 462.06 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 44526700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).