4-(3-morpholin-4-yl-3-oxopropyl)-N-propan-2-ylbenzenesulfonamide

C16H24N2O4S — CID 970201

IUPAC4-(3-morpholin-4-yl-3-oxopropyl)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(CCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C16H24N2O4S/c1-13(2)17-23(20,21)15-6-3-14(4-7-15)5-8-16(19)18-9-11-22-12-10-18/h3-4,6-7,13,17H,5,8-12H2,1-2H3
InChIKeyFXAGMSJDSLPKFG-UHFFFAOYSA-N
MW340.44 g/mol
LogP1.16
Rot. Bonds6

About 4-(3-morpholin-4-yl-3-oxopropyl)-N-propan-2-ylbenzenesulfonamide

4-(3-morpholin-4-yl-3-oxopropyl)-N-propan-2-ylbenzenesulfonamide (PubChem CID 970201) has the molecular formula C16H24N2O4S and a molecular weight of 340.44 g/mol. Its IUPAC name is 4-(3-morpholin-4-yl-3-oxopropyl)-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(3-morpholin-4-yl-3-oxopropyl)-N-propan-2-ylbenzenesulfonamide
PubChem CID970201
Molecular FormulaC16H24N2O4S
Molecular Weight340.44 g/mol
Exact Mass340.15
IUPAC Name4-(3-morpholin-4-yl-3-oxopropyl)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(CCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C16H24N2O4S/c1-13(2)17-23(20,21)15-6-3-14(4-7-15)5-8-16(19)18-9-11-22-12-10-18/h3-4,6-7,13,17H,5,8-12H2,1-2H3
InChIKeyFXAGMSJDSLPKFG-UHFFFAOYSA-N
XLogP1.16
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-morpholin-4-yl-3-oxopropyl)-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-(3-morpholin-4-yl-3-oxopropyl)-N-propan-2-ylbenzenesulfonamide (CID 970201) is 4-(3-morpholin-4-yl-3-oxopropyl)-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-(3-morpholin-4-yl-3-oxopropyl)-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-(3-morpholin-4-yl-3-oxopropyl)-N-propan-2-ylbenzenesulfonamide is CC(C)NS(=O)(=O)c1ccc(CCC(=O)N2CCOCC2)cc1.
What is the InChIKey of 4-(3-morpholin-4-yl-3-oxopropyl)-N-propan-2-ylbenzenesulfonamide?
The InChIKey is FXAGMSJDSLPKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-13(2)17-23(20,21)15-6-3-14(4-7-15)5-8-16(19)18-9-11-22-12-10-18/h3-4,6-7,13,17H,5,8-12H2,1-2H3.
What are the key properties of 4-(3-morpholin-4-yl-3-oxopropyl)-N-propan-2-ylbenzenesulfonamide?
4-(3-morpholin-4-yl-3-oxopropyl)-N-propan-2-ylbenzenesulfonamide has a molecular weight of 340.44 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-morpholin-4-yl-3-oxopropyl)-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 970201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).