1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide

C23H26Cl2N2O3S — CID 30386446

IUPAC1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
SMILESO=C(N[C@H]1CCCc2ccccc21)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C23H26Cl2N2O3S/c24-19-9-8-18(21(25)14-19)15-31(29,30)27-12-10-17(11-13-27)23(28)26-22-7-3-5-16-4-1-2-6-20(16)22/h1-2,4,6,8-9,14,17,22H,3,5,7,10-13,15H2,(H,26,28)/t22-/m0/s1
InChIKeyMHSXMAGRTFTUDY-QFIPXVFZSA-N
MW481.45 g/mol
LogP4.73
Rot. Bonds5

About 1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide

1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide (PubChem CID 30386446) has the molecular formula C23H26Cl2N2O3S and a molecular weight of 481.45 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
PubChem CID30386446
Molecular FormulaC23H26Cl2N2O3S
Molecular Weight481.45 g/mol
Exact Mass480.10
IUPAC Name1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
SMILESO=C(N[C@H]1CCCc2ccccc21)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C23H26Cl2N2O3S/c24-19-9-8-18(21(25)14-19)15-31(29,30)27-12-10-17(11-13-27)23(28)26-22-7-3-5-16-4-1-2-6-20(16)22/h1-2,4,6,8-9,14,17,22H,3,5,7,10-13,15H2,(H,26,28)/t22-/m0/s1
InChIKeyMHSXMAGRTFTUDY-QFIPXVFZSA-N
XLogP4.73
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.45
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-3-carboxamide
CID 92672956
1-[(2-methylphenyl)methylsulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 43875237
1-(2,5-dichlorophenyl)sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 28551085
1-ethylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 17435645
1-(4-chlorophenyl)sulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 3761947
1-(5-chloro-2-methoxyphenyl)sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 28551622
1-[(4-chlorophenyl)methylsulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide
CID 53289497
1-[(2,6-dichlorophenyl)methylsulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide
CID 46770311
1-(dimethylsulfamoyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 93487580
1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
CID 53283175
1-(2-chloro-5-nitrophenyl)sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 92509453
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopropanecarboxamide
CID 7688429

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide (CID 30386446) is 1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide is O=C(N[C@H]1CCCc2ccccc21)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide?
The InChIKey is MHSXMAGRTFTUDY-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H26Cl2N2O3S/c24-19-9-8-18(21(25)14-19)15-31(29,30)27-12-10-17(11-13-27)23(28)26-22-7-3-5-16-4-1-2-6-20(16)22/h1-2,4,6,8-9,14,17,22H,3,5,7,10-13,15H2,(H,26,28)/t22-/m0/s1.
What are the key properties of 1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide?
1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide has a molecular weight of 481.45 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide is sourced from PubChem (CID 30386446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).