4-(3-morpholin-4-yl-3-oxopropyl)-N-propylbenzenesulfonamide

C16H24N2O4S — CID 654827

IUPAC4-(3-morpholin-4-yl-3-oxopropyl)-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(CCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C16H24N2O4S/c1-2-9-17-23(20,21)15-6-3-14(4-7-15)5-8-16(19)18-10-12-22-13-11-18/h3-4,6-7,17H,2,5,8-13H2,1H3
InChIKeyBPXYTVXFCIMWIP-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.17
Rot. Bonds7

About 4-(3-morpholin-4-yl-3-oxopropyl)-N-propylbenzenesulfonamide

4-(3-morpholin-4-yl-3-oxopropyl)-N-propylbenzenesulfonamide (PubChem CID 654827) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is 4-(3-morpholin-4-yl-3-oxopropyl)-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name4-(3-morpholin-4-yl-3-oxopropyl)-N-propylbenzenesulfonamide
PubChem CID654827
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC Name4-(3-morpholin-4-yl-3-oxopropyl)-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(CCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C16H24N2O4S/c1-2-9-17-23(20,21)15-6-3-14(4-7-15)5-8-16(19)18-10-12-22-13-11-18/h3-4,6-7,17H,2,5,8-13H2,1H3
InChIKeyBPXYTVXFCIMWIP-UHFFFAOYSA-N
XLogP1.17
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.17
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-propylbenzenesulfonamide?
The IUPAC name of 4-(3-morpholin-4-yl-3-oxopropyl)-N-propylbenzenesulfonamide (CID 654827) is 4-(3-morpholin-4-yl-3-oxopropyl)-N-propylbenzenesulfonamide.
What is the SMILES notation for 4-(3-morpholin-4-yl-3-oxopropyl)-N-propylbenzenesulfonamide?
The canonical SMILES for 4-(3-morpholin-4-yl-3-oxopropyl)-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1ccc(CCC(=O)N2CCOCC2)cc1.
What is the InChIKey of 4-(3-morpholin-4-yl-3-oxopropyl)-N-propylbenzenesulfonamide?
The InChIKey is BPXYTVXFCIMWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-2-9-17-23(20,21)15-6-3-14(4-7-15)5-8-16(19)18-10-12-22-13-11-18/h3-4,6-7,17H,2,5,8-13H2,1H3.
What are the key properties of 4-(3-morpholin-4-yl-3-oxopropyl)-N-propylbenzenesulfonamide?
4-(3-morpholin-4-yl-3-oxopropyl)-N-propylbenzenesulfonamide has a molecular weight of 340.45 g/mol, XLogP of 1.17, 7 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-propylbenzenesulfonamide is sourced from PubChem (CID 654827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).