N-[1-(3-imidazol-1-ylpropyl)piperidin-3-yl]benzenesulfonamide

C17H24N4O2S — CID 84598150

IUPACN-[1-(3-imidazol-1-ylpropyl)piperidin-3-yl]benzenesulfonamide
SMILESO=S(=O)(NC1CCCN(CCCn2ccnc2)C1)c1ccccc1
InChIInChI=1S/C17H24N4O2S/c22-24(23,17-7-2-1-3-8-17)19-16-6-4-10-20(14-16)11-5-12-21-13-9-18-15-21/h1-3,7-9,13,15-16,19H,4-6,10-12,14H2
InChIKeyXOZJRQOTHZSCKL-UHFFFAOYSA-N
MW348.47 g/mol
LogP1.72
Rot. Bonds7

About N-[1-(3-imidazol-1-ylpropyl)piperidin-3-yl]benzenesulfonamide

N-[1-(3-imidazol-1-ylpropyl)piperidin-3-yl]benzenesulfonamide (PubChem CID 84598150) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-[1-(3-imidazol-1-ylpropyl)piperidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(3-imidazol-1-ylpropyl)piperidin-3-yl]benzenesulfonamide
PubChem CID84598150
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC NameN-[1-(3-imidazol-1-ylpropyl)piperidin-3-yl]benzenesulfonamide
SMILESO=S(=O)(NC1CCCN(CCCn2ccnc2)C1)c1ccccc1
InChIInChI=1S/C17H24N4O2S/c22-24(23,17-7-2-1-3-8-17)19-16-6-4-10-20(14-16)11-5-12-21-13-9-18-15-21/h1-3,7-9,13,15-16,19H,4-6,10-12,14H2
InChIKeyXOZJRQOTHZSCKL-UHFFFAOYSA-N
XLogP1.72
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-imidazol-1-ylpropyl)piperidin-3-yl]benzenesulfonamide?
The IUPAC name of N-[1-(3-imidazol-1-ylpropyl)piperidin-3-yl]benzenesulfonamide (CID 84598150) is N-[1-(3-imidazol-1-ylpropyl)piperidin-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-(3-imidazol-1-ylpropyl)piperidin-3-yl]benzenesulfonamide?
The canonical SMILES for N-[1-(3-imidazol-1-ylpropyl)piperidin-3-yl]benzenesulfonamide is O=S(=O)(NC1CCCN(CCCn2ccnc2)C1)c1ccccc1.
What is the InChIKey of N-[1-(3-imidazol-1-ylpropyl)piperidin-3-yl]benzenesulfonamide?
The InChIKey is XOZJRQOTHZSCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c22-24(23,17-7-2-1-3-8-17)19-16-6-4-10-20(14-16)11-5-12-21-13-9-18-15-21/h1-3,7-9,13,15-16,19H,4-6,10-12,14H2.
What are the key properties of N-[1-(3-imidazol-1-ylpropyl)piperidin-3-yl]benzenesulfonamide?
N-[1-(3-imidazol-1-ylpropyl)piperidin-3-yl]benzenesulfonamide has a molecular weight of 348.47 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-imidazol-1-ylpropyl)piperidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 84598150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).