N-[3-oxo-3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide

C19H22N2O4S — CID 47021337

IUPACN-[3-oxo-3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C19H22N2O4S/c22-19(11-12-20-26(23,24)17-9-5-2-6-10-17)21-13-14-25-18(15-21)16-7-3-1-4-8-16/h1-10,18,20H,11-15H2
InChIKeyKIODVGYREYEBOJ-UHFFFAOYSA-N
MW374.46 g/mol
LogP1.96
Rot. Bonds6

About N-[3-oxo-3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide

N-[3-oxo-3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide (PubChem CID 47021337) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-[3-oxo-3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-oxo-3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide
PubChem CID47021337
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-[3-oxo-3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C19H22N2O4S/c22-19(11-12-20-26(23,24)17-9-5-2-6-10-17)21-13-14-25-18(15-21)16-7-3-1-4-8-16/h1-10,18,20H,11-15H2
InChIKeyKIODVGYREYEBOJ-UHFFFAOYSA-N
XLogP1.96
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide?
The IUPAC name of N-[3-oxo-3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide (CID 47021337) is N-[3-oxo-3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide.
What is the SMILES notation for N-[3-oxo-3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide?
The canonical SMILES for N-[3-oxo-3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide is O=C(CCNS(=O)(=O)c1ccccc1)N1CCOC(c2ccccc2)C1.
What is the InChIKey of N-[3-oxo-3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide?
The InChIKey is KIODVGYREYEBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c22-19(11-12-20-26(23,24)17-9-5-2-6-10-17)21-13-14-25-18(15-21)16-7-3-1-4-8-16/h1-10,18,20H,11-15H2.
What are the key properties of N-[3-oxo-3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide?
N-[3-oxo-3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide has a molecular weight of 374.46 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 47021337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).