(3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[4-(diethylsulfamoyl)phenyl]piperidine-3-carboxamide

C23H29Cl2N3O5S2 — CID 98054329

IUPAC(3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[4-(diethylsulfamoyl)phenyl]piperidine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)C2)cc1
InChIInChI=1S/C23H29Cl2N3O5S2/c1-3-27(4-2)35(32,33)20-10-8-19(9-11-20)26-23(29)18-6-5-13-28(15-18)34(30,31)16-17-7-12-21(24)22(25)14-17/h7-12,14,18H,3-6,13,15-16H2,1-2H3,(H,26,29)/t18-/m1/s1
InChIKeyZLNZAISFULGTCO-GOSISDBHSA-N
MW562.54 g/mol
LogP4.20
Rot. Bonds9

About (3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[4-(diethylsulfamoyl)phenyl]piperidine-3-carboxamide

(3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[4-(diethylsulfamoyl)phenyl]piperidine-3-carboxamide (PubChem CID 98054329) has the molecular formula C23H29Cl2N3O5S2 and a molecular weight of 562.54 g/mol. Its IUPAC name is (3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[4-(diethylsulfamoyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[4-(diethylsulfamoyl)phenyl]piperidine-3-carboxamide
PubChem CID98054329
Molecular FormulaC23H29Cl2N3O5S2
Molecular Weight562.54 g/mol
Exact Mass561.09
IUPAC Name(3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[4-(diethylsulfamoyl)phenyl]piperidine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)C2)cc1
InChIInChI=1S/C23H29Cl2N3O5S2/c1-3-27(4-2)35(32,33)20-10-8-19(9-11-20)26-23(29)18-6-5-13-28(15-18)34(30,31)16-17-7-12-21(24)22(25)14-17/h7-12,14,18H,3-6,13,15-16H2,1-2H3,(H,26,29)/t18-/m1/s1
InChIKeyZLNZAISFULGTCO-GOSISDBHSA-N
XLogP4.20
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.54
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]piperidine-3-carboxamide
CID 98055283
(3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]piperidine-3-carboxamide
CID 99665675
1-[(4-chlorophenyl)methylsulfonyl]-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 50810963
(3R)-1-[(3-chlorophenyl)methylsulfonyl]-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 92641729
1-[(3,4-dichlorophenyl)methylsulfonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 56581953
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43925168
(3R)-N-(4-ethylphenyl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 41447063
1-[(3,4-dichlorophenyl)methylsulfonyl]-N-(2-ethylhexyl)piperidine-3-carboxamide
CID 133164334
1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
CID 133210379
1-[(3-chlorophenyl)methylsulfonyl]-N-(4-methylphenyl)piperidine-3-carboxamide
CID 50808955
(3R)-N-(3-chloro-4-methylphenyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-3-carboxamide
CID 92642191
(3S)-3-N-[4-(diethylsulfamoyl)phenyl]piperidine-1,3-dicarboxamide
CID 9074203

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[4-(diethylsulfamoyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[4-(diethylsulfamoyl)phenyl]piperidine-3-carboxamide (CID 98054329) is (3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[4-(diethylsulfamoyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[4-(diethylsulfamoyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[4-(diethylsulfamoyl)phenyl]piperidine-3-carboxamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)C2)cc1.
What is the InChIKey of (3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[4-(diethylsulfamoyl)phenyl]piperidine-3-carboxamide?
The InChIKey is ZLNZAISFULGTCO-GOSISDBHSA-N. The full InChI is InChI=1S/C23H29Cl2N3O5S2/c1-3-27(4-2)35(32,33)20-10-8-19(9-11-20)26-23(29)18-6-5-13-28(15-18)34(30,31)16-17-7-12-21(24)22(25)14-17/h7-12,14,18H,3-6,13,15-16H2,1-2H3,(H,26,29)/t18-/m1/s1.
What are the key properties of (3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[4-(diethylsulfamoyl)phenyl]piperidine-3-carboxamide?
(3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[4-(diethylsulfamoyl)phenyl]piperidine-3-carboxamide has a molecular weight of 562.54 g/mol, XLogP of 4.20, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[4-(diethylsulfamoyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 98054329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).