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

C25H35N3O2S — CID 44526725

IUPAC3-methyl-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2cccc(CCN3CCC(N4CCCCC4)CC3)c2)c1
InChIInChI=1S/C25H35N3O2S/c1-21-7-5-10-25(19-21)31(29,30)26-23-9-6-8-22(20-23)11-16-27-17-12-24(13-18-27)28-14-3-2-4-15-28/h5-10,19-20,24,26H,2-4,11-18H2,1H3
InChIKeyVGOOVXYJFLKAGW-UHFFFAOYSA-N
MW441.64 g/mol
LogP4.29
Rot. Bonds7

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

3-methyl-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide (PubChem CID 44526725) has the molecular formula C25H35N3O2S and a molecular weight of 441.64 g/mol. Its IUPAC name is 3-methyl-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide
PubChem CID44526725
Molecular FormulaC25H35N3O2S
Molecular Weight441.64 g/mol
Exact Mass441.24
IUPAC Name3-methyl-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2cccc(CCN3CCC(N4CCCCC4)CC3)c2)c1
InChIInChI=1S/C25H35N3O2S/c1-21-7-5-10-25(19-21)31(29,30)26-23-9-6-8-22(20-23)11-16-27-17-12-24(13-18-27)28-14-3-2-4-15-28/h5-10,19-20,24,26H,2-4,11-18H2,1H3
InChIKeyVGOOVXYJFLKAGW-UHFFFAOYSA-N
XLogP4.29
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.64
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide?
The IUPAC name of 3-methyl-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide (CID 44526725) is 3-methyl-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide?
The canonical SMILES for 3-methyl-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2cccc(CCN3CCC(N4CCCCC4)CC3)c2)c1.
What is the InChIKey of 3-methyl-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide?
The InChIKey is VGOOVXYJFLKAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O2S/c1-21-7-5-10-25(19-21)31(29,30)26-23-9-6-8-22(20-23)11-16-27-17-12-24(13-18-27)28-14-3-2-4-15-28/h5-10,19-20,24,26H,2-4,11-18H2,1H3.
What are the key properties of 3-methyl-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide?
3-methyl-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide has a molecular weight of 441.64 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 44526725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).