4-(3-piperidin-4-ylpropyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

C20H30N4O2S — CID 58561292

IUPAC4-(3-piperidin-4-ylpropyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(CCCC2CCNCC2)cc1
InChIInChI=1S/C20H30N4O2S/c1-15-20(16(2)24(3)22-15)23-27(25,26)19-9-7-17(8-10-19)5-4-6-18-11-13-21-14-12-18/h7-10,18,21,23H,4-6,11-14H2,1-3H3
InChIKeyHSZRKOPMCINGBW-UHFFFAOYSA-N
MW390.55 g/mol
LogP3.16
Rot. Bonds7

About 4-(3-piperidin-4-ylpropyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

4-(3-piperidin-4-ylpropyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (PubChem CID 58561292) has the molecular formula C20H30N4O2S and a molecular weight of 390.55 g/mol. Its IUPAC name is 4-(3-piperidin-4-ylpropyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3-piperidin-4-ylpropyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
PubChem CID58561292
Molecular FormulaC20H30N4O2S
Molecular Weight390.55 g/mol
Exact Mass390.21
IUPAC Name4-(3-piperidin-4-ylpropyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(CCCC2CCNCC2)cc1
InChIInChI=1S/C20H30N4O2S/c1-15-20(16(2)24(3)22-15)23-27(25,26)19-9-7-17(8-10-19)5-4-6-18-11-13-21-14-12-18/h7-10,18,21,23H,4-6,11-14H2,1-3H3
InChIKeyHSZRKOPMCINGBW-UHFFFAOYSA-N
XLogP3.16
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.55
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-piperidin-4-ylpropyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 4-(3-piperidin-4-ylpropyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (CID 58561292) is 4-(3-piperidin-4-ylpropyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-(3-piperidin-4-ylpropyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 4-(3-piperidin-4-ylpropyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(CCCC2CCNCC2)cc1.
What is the InChIKey of 4-(3-piperidin-4-ylpropyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is HSZRKOPMCINGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2S/c1-15-20(16(2)24(3)22-15)23-27(25,26)19-9-7-17(8-10-19)5-4-6-18-11-13-21-14-12-18/h7-10,18,21,23H,4-6,11-14H2,1-3H3.
What are the key properties of 4-(3-piperidin-4-ylpropyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
4-(3-piperidin-4-ylpropyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide has a molecular weight of 390.55 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-piperidin-4-ylpropyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 58561292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).