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

C24H28ClN3O3S2 — CID 11272109

IUPAC3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-[2-(2-methylimino-1,3-thiazol-3-yl)ethyl]piperidin-1-yl]propan-1-one
SMILESC/N=c1\sccn1CCC1CCN(C(=O)CCS(=O)(=O)c2ccc3cc(Cl)ccc3c2)CC1
InChIInChI=1S/C24H28ClN3O3S2/c1-26-24-28(13-14-32-24)12-8-18-6-10-27(11-7-18)23(29)9-15-33(30,31)22-5-3-19-16-21(25)4-2-20(19)17-22/h2-5,13-14,16-18H,6-12,15H2,1H3/b26-24-
InChIKeyHMLMOZAKYXMAAH-LCUIJRPUSA-N
MW506.09 g/mol
LogP4.38
Rot. Bonds7

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

3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-[2-(2-methylimino-1,3-thiazol-3-yl)ethyl]piperidin-1-yl]propan-1-one (PubChem CID 11272109) has the molecular formula C24H28ClN3O3S2 and a molecular weight of 506.09 g/mol. Its IUPAC name is 3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-[2-(2-methylimino-1,3-thiazol-3-yl)ethyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-[2-(2-methylimino-1,3-thiazol-3-yl)ethyl]piperidin-1-yl]propan-1-one
PubChem CID11272109
Molecular FormulaC24H28ClN3O3S2
Molecular Weight506.09 g/mol
Exact Mass505.13
IUPAC Name3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-[2-(2-methylimino-1,3-thiazol-3-yl)ethyl]piperidin-1-yl]propan-1-one
SMILESC/N=c1\sccn1CCC1CCN(C(=O)CCS(=O)(=O)c2ccc3cc(Cl)ccc3c2)CC1
InChIInChI=1S/C24H28ClN3O3S2/c1-26-24-28(13-14-32-24)12-8-18-6-10-27(11-7-18)23(29)9-15-33(30,31)22-5-3-19-16-21(25)4-2-20(19)17-22/h2-5,13-14,16-18H,6-12,15H2,1H3/b26-24-
InChIKeyHMLMOZAKYXMAAH-LCUIJRPUSA-N
XLogP4.38
TPSA71.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.09
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-[2-(2-methylimino-1,3-thiazol-3-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-methylimino-1,3-thiazol-3-yl)ethyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-[2-(2-methylimino-1,3-thiazol-3-yl)ethyl]piperidin-1-yl]propan-1-one (CID 11272109) is 3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-[2-(2-methylimino-1,3-thiazol-3-yl)ethyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-[2-(2-methylimino-1,3-thiazol-3-yl)ethyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-[2-(2-methylimino-1,3-thiazol-3-yl)ethyl]piperidin-1-yl]propan-1-one is C/N=c1\sccn1CCC1CCN(C(=O)CCS(=O)(=O)c2ccc3cc(Cl)ccc3c2)CC1.
What is the InChIKey of 3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-[2-(2-methylimino-1,3-thiazol-3-yl)ethyl]piperidin-1-yl]propan-1-one?
The InChIKey is HMLMOZAKYXMAAH-LCUIJRPUSA-N. The full InChI is InChI=1S/C24H28ClN3O3S2/c1-26-24-28(13-14-32-24)12-8-18-6-10-27(11-7-18)23(29)9-15-33(30,31)22-5-3-19-16-21(25)4-2-20(19)17-22/h2-5,13-14,16-18H,6-12,15H2,1H3/b26-24-.
What are the key properties of 3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-[2-(2-methylimino-1,3-thiazol-3-yl)ethyl]piperidin-1-yl]propan-1-one?
3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-[2-(2-methylimino-1,3-thiazol-3-yl)ethyl]piperidin-1-yl]propan-1-one has a molecular weight of 506.09 g/mol, XLogP of 4.38, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-[2-(2-methylimino-1,3-thiazol-3-yl)ethyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 11272109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).