N-[(2,4-dichlorophenyl)methyl]-4-[(4-fluorophenyl)sulfonylamino]piperidine-1-carboxamide

C19H20Cl2FN3O3S — CID 46225086

IUPACN-[(2,4-dichlorophenyl)methyl]-4-[(4-fluorophenyl)sulfonylamino]piperidine-1-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H20Cl2FN3O3S/c20-14-2-1-13(18(21)11-14)12-23-19(26)25-9-7-16(8-10-25)24-29(27,28)17-5-3-15(22)4-6-17/h1-6,11,16,24H,7-10,12H2,(H,23,26)
InChIKeyLDEUDOBKFLOILD-UHFFFAOYSA-N
MW460.36 g/mol
LogP3.79
Rot. Bonds5

About N-[(2,4-dichlorophenyl)methyl]-4-[(4-fluorophenyl)sulfonylamino]piperidine-1-carboxamide

N-[(2,4-dichlorophenyl)methyl]-4-[(4-fluorophenyl)sulfonylamino]piperidine-1-carboxamide (PubChem CID 46225086) has the molecular formula C19H20Cl2FN3O3S and a molecular weight of 460.36 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-4-[(4-fluorophenyl)sulfonylamino]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-4-[(4-fluorophenyl)sulfonylamino]piperidine-1-carboxamide
PubChem CID46225086
Molecular FormulaC19H20Cl2FN3O3S
Molecular Weight460.36 g/mol
Exact Mass459.06
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-4-[(4-fluorophenyl)sulfonylamino]piperidine-1-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H20Cl2FN3O3S/c20-14-2-1-13(18(21)11-14)12-23-19(26)25-9-7-16(8-10-25)24-29(27,28)17-5-3-15(22)4-6-17/h1-6,11,16,24H,7-10,12H2,(H,23,26)
InChIKeyLDEUDOBKFLOILD-UHFFFAOYSA-N
XLogP3.79
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.36
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-4-[(4-fluorophenyl)sulfonylamino]piperidine-1-carboxamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-4-[(4-fluorophenyl)sulfonylamino]piperidine-1-carboxamide (CID 46225086) is N-[(2,4-dichlorophenyl)methyl]-4-[(4-fluorophenyl)sulfonylamino]piperidine-1-carboxamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-4-[(4-fluorophenyl)sulfonylamino]piperidine-1-carboxamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-4-[(4-fluorophenyl)sulfonylamino]piperidine-1-carboxamide is O=C(NCc1ccc(Cl)cc1Cl)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-4-[(4-fluorophenyl)sulfonylamino]piperidine-1-carboxamide?
The InChIKey is LDEUDOBKFLOILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2FN3O3S/c20-14-2-1-13(18(21)11-14)12-23-19(26)25-9-7-16(8-10-25)24-29(27,28)17-5-3-15(22)4-6-17/h1-6,11,16,24H,7-10,12H2,(H,23,26).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-4-[(4-fluorophenyl)sulfonylamino]piperidine-1-carboxamide?
N-[(2,4-dichlorophenyl)methyl]-4-[(4-fluorophenyl)sulfonylamino]piperidine-1-carboxamide has a molecular weight of 460.36 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-4-[(4-fluorophenyl)sulfonylamino]piperidine-1-carboxamide is sourced from PubChem (CID 46225086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).