3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]propan-1-one

C24H28ClN3O3S — CID 24881255

IUPAC3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]propan-1-one
SMILESCc1nccn1CCC1CCN(C(=O)CCS(=O)(=O)c2ccc3cc(Cl)ccc3c2)CC1
InChIInChI=1S/C24H28ClN3O3S/c1-18-26-10-14-27(18)11-6-19-7-12-28(13-8-19)24(29)9-15-32(30,31)23-5-3-20-16-22(25)4-2-21(20)17-23/h2-5,10,14,16-17,19H,6-9,11-13,15H2,1H3
InChIKeyQHPZCVJHFGQCRQ-UHFFFAOYSA-N
MW474.03 g/mol
LogP4.49
Rot. Bonds7

About 3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]propan-1-one

3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]propan-1-one (PubChem CID 24881255) has the molecular formula C24H28ClN3O3S and a molecular weight of 474.03 g/mol. Its IUPAC name is 3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]propan-1-one
PubChem CID24881255
Molecular FormulaC24H28ClN3O3S
Molecular Weight474.03 g/mol
Exact Mass473.15
IUPAC Name3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]propan-1-one
SMILESCc1nccn1CCC1CCN(C(=O)CCS(=O)(=O)c2ccc3cc(Cl)ccc3c2)CC1
InChIInChI=1S/C24H28ClN3O3S/c1-18-26-10-14-27(18)11-6-19-7-12-28(13-8-19)24(29)9-15-32(30,31)23-5-3-20-16-22(25)4-2-21(20)17-23/h2-5,10,14,16-17,19H,6-9,11-13,15H2,1H3
InChIKeyQHPZCVJHFGQCRQ-UHFFFAOYSA-N
XLogP4.49
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.03
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]propan-1-one (CID 24881255) is 3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]propan-1-one is Cc1nccn1CCC1CCN(C(=O)CCS(=O)(=O)c2ccc3cc(Cl)ccc3c2)CC1.
What is the InChIKey of 3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]propan-1-one?
The InChIKey is QHPZCVJHFGQCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O3S/c1-18-26-10-14-27(18)11-6-19-7-12-28(13-8-19)24(29)9-15-32(30,31)23-5-3-20-16-22(25)4-2-21(20)17-23/h2-5,10,14,16-17,19H,6-9,11-13,15H2,1H3.
What are the key properties of 3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]propan-1-one?
3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]propan-1-one has a molecular weight of 474.03 g/mol, XLogP of 4.49, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 24881255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).