N-[(2-chlorophenyl)methyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide

C17H24ClN3O4S — CID 4064508

IUPACN-[(2-chlorophenyl)methyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NCc1ccccc1Cl)C1CCN(S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C17H24ClN3O4S/c18-16-4-2-1-3-15(16)13-19-17(22)14-5-7-20(8-6-14)26(23,24)21-9-11-25-12-10-21/h1-4,14H,5-13H2,(H,19,22)
InChIKeyLATWGIYUMXLYKC-UHFFFAOYSA-N
MW401.92 g/mol
LogP1.25
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide

N-[(2-chlorophenyl)methyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide (PubChem CID 4064508) has the molecular formula C17H24ClN3O4S and a molecular weight of 401.92 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide
PubChem CID4064508
Molecular FormulaC17H24ClN3O4S
Molecular Weight401.92 g/mol
Exact Mass401.12
IUPAC NameN-[(2-chlorophenyl)methyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NCc1ccccc1Cl)C1CCN(S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C17H24ClN3O4S/c18-16-4-2-1-3-15(16)13-19-17(22)14-5-7-20(8-6-14)26(23,24)21-9-11-25-12-10-21/h1-4,14H,5-13H2,(H,19,22)
InChIKeyLATWGIYUMXLYKC-UHFFFAOYSA-N
XLogP1.25
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.92
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2-chlorophenyl)methyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide 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 N-[(2-chlorophenyl)methyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide (CID 4064508) is N-[(2-chlorophenyl)methyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide is O=C(NCc1ccccc1Cl)C1CCN(S(=O)(=O)N2CCOCC2)CC1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is LATWGIYUMXLYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O4S/c18-16-4-2-1-3-15(16)13-19-17(22)14-5-7-20(8-6-14)26(23,24)21-9-11-25-12-10-21/h1-4,14H,5-13H2,(H,19,22).
What are the key properties of N-[(2-chlorophenyl)methyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide?
N-[(2-chlorophenyl)methyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 401.92 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 4064508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).