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

C19H29N5O2S — CID 58561301

IUPAC4-(3-piperazin-1-ylpropyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(CCCN2CCNCC2)cc1
InChIInChI=1S/C19H29N5O2S/c1-15-19(16(2)23(3)21-15)22-27(25,26)18-8-6-17(7-9-18)5-4-12-24-13-10-20-11-14-24/h6-9,20,22H,4-5,10-14H2,1-3H3
InChIKeyJFVLKGVMXSZQKG-UHFFFAOYSA-N
MW391.54 g/mol
LogP1.68
Rot. Bonds7

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

4-(3-piperazin-1-ylpropyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (PubChem CID 58561301) has the molecular formula C19H29N5O2S and a molecular weight of 391.54 g/mol. Its IUPAC name is 4-(3-piperazin-1-ylpropyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3-piperazin-1-ylpropyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
PubChem CID58561301
Molecular FormulaC19H29N5O2S
Molecular Weight391.54 g/mol
Exact Mass391.20
IUPAC Name4-(3-piperazin-1-ylpropyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(CCCN2CCNCC2)cc1
InChIInChI=1S/C19H29N5O2S/c1-15-19(16(2)23(3)21-15)22-27(25,26)18-8-6-17(7-9-18)5-4-12-24-13-10-20-11-14-24/h6-9,20,22H,4-5,10-14H2,1-3H3
InChIKeyJFVLKGVMXSZQKG-UHFFFAOYSA-N
XLogP1.68
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.54
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-piperazin-1-ylpropyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 4-(3-piperazin-1-ylpropyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (CID 58561301) is 4-(3-piperazin-1-ylpropyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-(3-piperazin-1-ylpropyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 4-(3-piperazin-1-ylpropyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(CCCN2CCNCC2)cc1.
What is the InChIKey of 4-(3-piperazin-1-ylpropyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is JFVLKGVMXSZQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2S/c1-15-19(16(2)23(3)21-15)22-27(25,26)18-8-6-17(7-9-18)5-4-12-24-13-10-20-11-14-24/h6-9,20,22H,4-5,10-14H2,1-3H3.
What are the key properties of 4-(3-piperazin-1-ylpropyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
4-(3-piperazin-1-ylpropyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide has a molecular weight of 391.54 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-piperazin-1-ylpropyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 58561301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).