N-[(4-chlorophenyl)methyl]-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide

C14H19ClN2O4S — CID 2223389

IUPACN-[(4-chlorophenyl)methyl]-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCOCC1)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O4S/c1-22(19,20)17(10-12-2-4-13(15)5-3-12)11-14(18)16-6-8-21-9-7-16/h2-5H,6-11H2,1H3
InChIKeyWOAFHJLEEKBJED-UHFFFAOYSA-N
MW346.84 g/mol
LogP0.96
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide

N-[(4-chlorophenyl)methyl]-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide (PubChem CID 2223389) has the molecular formula C14H19ClN2O4S and a molecular weight of 346.84 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
PubChem CID2223389
Molecular FormulaC14H19ClN2O4S
Molecular Weight346.84 g/mol
Exact Mass346.08
IUPAC NameN-[(4-chlorophenyl)methyl]-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCOCC1)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O4S/c1-22(19,20)17(10-12-2-4-13(15)5-3-12)11-14(18)16-6-8-21-9-7-16/h2-5H,6-11H2,1H3
InChIKeyWOAFHJLEEKBJED-UHFFFAOYSA-N
XLogP0.96
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide (CID 2223389) is N-[(4-chlorophenyl)methyl]-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide is CS(=O)(=O)N(CC(=O)N1CCOCC1)Cc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide?
The InChIKey is WOAFHJLEEKBJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O4S/c1-22(19,20)17(10-12-2-4-13(15)5-3-12)11-14(18)16-6-8-21-9-7-16/h2-5H,6-11H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide?
N-[(4-chlorophenyl)methyl]-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide has a molecular weight of 346.84 g/mol, XLogP of 0.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide is sourced from PubChem (CID 2223389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).