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

C23H26Cl2N2O3S — CID 92672956

IUPAC(3S)-1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-3-carboxamide
SMILESO=C(N[C@@H]1CCCc2ccccc21)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C23H26Cl2N2O3S/c24-19-11-10-18(21(25)13-19)15-31(29,30)27-12-4-7-17(14-27)23(28)26-22-9-3-6-16-5-1-2-8-20(16)22/h1-2,5,8,10-11,13,17,22H,3-4,6-7,9,12,14-15H2,(H,26,28)/t17-,22+/m0/s1
InChIKeyHGSRPBFFJYSIMN-HTAPYJJXSA-N
MW481.45 g/mol
LogP4.73
Rot. Bonds5

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

(3S)-1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-3-carboxamide (PubChem CID 92672956) has the molecular formula C23H26Cl2N2O3S and a molecular weight of 481.45 g/mol. Its IUPAC name is (3S)-1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-3-carboxamide
PubChem CID92672956
Molecular FormulaC23H26Cl2N2O3S
Molecular Weight481.45 g/mol
Exact Mass480.10
IUPAC Name(3S)-1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-3-carboxamide
SMILESO=C(N[C@@H]1CCCc2ccccc21)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C23H26Cl2N2O3S/c24-19-11-10-18(21(25)13-19)15-31(29,30)27-12-4-7-17(14-27)23(28)26-22-9-3-6-16-5-1-2-8-20(16)22/h1-2,5,8,10-11,13,17,22H,3-4,6-7,9,12,14-15H2,(H,26,28)/t17-,22+/m0/s1
InChIKeyHGSRPBFFJYSIMN-HTAPYJJXSA-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

1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 30386446
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
(3R)-1-(4-chlorophenyl)sulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-3-carboxamide
CID 93302727
(3S)-1-(benzenesulfonyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-3-carboxamide
CID 35763626
1-(2,5-dichlorophenyl)sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 28551085
(3R)-1-[(2,4-dichlorophenyl)methylsulfonyl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 27245318
1-(4-chlorophenyl)sulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 3761947
(3S)-1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-3-carboxamide
CID 125064514
(3S)-1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[4-(phenylsulfamoyl)phenyl]piperidine-3-carboxamide
CID 98054531
(3R)-1-[(2-chlorophenyl)methylsulfonyl]-N-cyclohexylpiperidine-3-carboxamide
CID 92641524
(3S)-1-[(2-chlorophenyl)methylsulfonyl]-N-cyclohexylpiperidine-3-carboxamide
CID 92641525

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-3-carboxamide (CID 92672956) is (3S)-1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-3-carboxamide is O=C(N[C@@H]1CCCc2ccccc21)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1.
What is the InChIKey of (3S)-1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-3-carboxamide?
The InChIKey is HGSRPBFFJYSIMN-HTAPYJJXSA-N. The full InChI is InChI=1S/C23H26Cl2N2O3S/c24-19-11-10-18(21(25)13-19)15-31(29,30)27-12-4-7-17(14-27)23(28)26-22-9-3-6-16-5-1-2-8-20(16)22/h1-2,5,8,10-11,13,17,22H,3-4,6-7,9,12,14-15H2,(H,26,28)/t17-,22+/m0/s1.
What are the key properties of (3S)-1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-3-carboxamide?
(3S)-1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-3-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 (3S)-1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-3-carboxamide is sourced from PubChem (CID 92672956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).