N-(4-chlorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide

C13H17ClN2O4S — CID 846801

IUPACN-(4-chlorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O4S/c1-21(18,19)16(12-4-2-11(14)3-5-12)10-13(17)15-6-8-20-9-7-15/h2-5H,6-10H2,1H3
InChIKeyJRGATBOZLFZUJW-UHFFFAOYSA-N
MW332.81 g/mol
LogP0.96
Rot. Bonds4

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

N-(4-chlorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide (PubChem CID 846801) has the molecular formula C13H17ClN2O4S and a molecular weight of 332.81 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
PubChem CID846801
Molecular FormulaC13H17ClN2O4S
Molecular Weight332.81 g/mol
Exact Mass332.06
IUPAC NameN-(4-chlorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O4S/c1-21(18,19)16(12-4-2-11(14)3-5-12)10-13(17)15-6-8-20-9-7-15/h2-5H,6-10H2,1H3
InChIKeyJRGATBOZLFZUJW-UHFFFAOYSA-N
XLogP0.96
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
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)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide?
The IUPAC name of N-(4-chlorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide (CID 846801) is N-(4-chlorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide?
The canonical SMILES for N-(4-chlorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide is CS(=O)(=O)N(CC(=O)N1CCOCC1)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide?
The InChIKey is JRGATBOZLFZUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O4S/c1-21(18,19)16(12-4-2-11(14)3-5-12)10-13(17)15-6-8-20-9-7-15/h2-5H,6-10H2,1H3.
What are the key properties of N-(4-chlorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide?
N-(4-chlorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide has a molecular weight of 332.81 g/mol, XLogP of 0.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide is sourced from PubChem (CID 846801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).