1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)methanesulfonamide

C13H19ClN2O3S — CID 2229354

IUPAC1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Cl)cc1)NCCN1CCOCC1
InChIInChI=1S/C13H19ClN2O3S/c14-13-3-1-12(2-4-13)11-20(17,18)15-5-6-16-7-9-19-10-8-16/h1-4,15H,5-11H2
InChIKeyAREWMYKZUSNDMQ-UHFFFAOYSA-N
MW318.83 g/mol
LogP1.09
Rot. Bonds6

About 1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)methanesulfonamide

1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)methanesulfonamide (PubChem CID 2229354) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)methanesulfonamide
PubChem CID2229354
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC Name1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Cl)cc1)NCCN1CCOCC1
InChIInChI=1S/C13H19ClN2O3S/c14-13-3-1-12(2-4-13)11-20(17,18)15-5-6-16-7-9-19-10-8-16/h1-4,15H,5-11H2
InChIKeyAREWMYKZUSNDMQ-UHFFFAOYSA-N
XLogP1.09
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)methanesulfonamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)methanesulfonamide (CID 2229354) is 1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)methanesulfonamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)methanesulfonamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)methanesulfonamide is O=S(=O)(Cc1ccc(Cl)cc1)NCCN1CCOCC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)methanesulfonamide?
The InChIKey is AREWMYKZUSNDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3S/c14-13-3-1-12(2-4-13)11-20(17,18)15-5-6-16-7-9-19-10-8-16/h1-4,15H,5-11H2.
What are the key properties of 1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)methanesulfonamide?
1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)methanesulfonamide has a molecular weight of 318.83 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)methanesulfonamide is sourced from PubChem (CID 2229354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).