1-(2-chlorophenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]methanesulfonamide

C19H23ClN2O3S — CID 16890659

IUPAC1-(2-chlorophenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1Cl)NCCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H23ClN2O3S/c20-19-4-2-1-3-17(19)15-26(23,24)21-10-9-16-5-7-18(8-6-16)22-11-13-25-14-12-22/h1-8,21H,9-15H2
InChIKeyRKXGIOYHYILLEQ-UHFFFAOYSA-N
MW394.92 g/mol
LogP2.84
Rot. Bonds7

About 1-(2-chlorophenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]methanesulfonamide

1-(2-chlorophenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]methanesulfonamide (PubChem CID 16890659) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]methanesulfonamide
PubChem CID16890659
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC Name1-(2-chlorophenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1Cl)NCCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H23ClN2O3S/c20-19-4-2-1-3-17(19)15-26(23,24)21-10-9-16-5-7-18(8-6-16)22-11-13-25-14-12-22/h1-8,21H,9-15H2
InChIKeyRKXGIOYHYILLEQ-UHFFFAOYSA-N
XLogP2.84
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-(2-chlorophenyl)-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]methanesulfonamide
CID 16890761
1-(3-chlorophenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]methanesulfonamide
CID 16890660
N'-[(2-chlorophenyl)methyl]-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891703
2-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]ethanesulfonamide
CID 16890665
1-(4-methoxyphenyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]methanesulfonamide
CID 16891059
[2-[(2-chlorophenyl)methylsulfonyl]-4-morpholin-4-ylphenyl]iminoazanium
CID 20734109
N-[2-(4-chlorophenyl)ethyl]-2-(4-morpholin-4-ylphenyl)acetamide
CID 110412816
1-(4-methoxyphenyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]methanesulfonamide
CID 16890576
1-(2-chlorophenyl)-N-[4-(2-methylmorpholin-4-yl)phenyl]methanesulfonamide
CID 110637339
N-[2-(4-morpholin-4-ylphenyl)ethyl]-1,3-benzodioxole-5-sulfonamide
CID 110405037
N-[2-(4-chlorophenyl)ethyl]-1-(2-fluorophenyl)methanesulfonamide
CID 51133224
N-methyl-2-(4-morpholin-4-ylphenyl)ethanamine
CID 82616430

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]methanesulfonamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]methanesulfonamide (CID 16890659) is 1-(2-chlorophenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]methanesulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]methanesulfonamide is O=S(=O)(Cc1ccccc1Cl)NCCc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]methanesulfonamide?
The InChIKey is RKXGIOYHYILLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c20-19-4-2-1-3-17(19)15-26(23,24)21-10-9-16-5-7-18(8-6-16)22-11-13-25-14-12-22/h1-8,21H,9-15H2.
What are the key properties of 1-(2-chlorophenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]methanesulfonamide?
1-(2-chlorophenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]methanesulfonamide has a molecular weight of 394.92 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]methanesulfonamide is sourced from PubChem (CID 16890659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).