2-chloro-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide

C18H19ClN2O4S — CID 16895079

IUPAC2-chloro-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
SMILESO=C(CNS(=O)(=O)c1ccccc1Cl)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C18H19ClN2O4S/c19-15-8-4-5-9-17(15)26(23,24)20-12-18(22)21-10-11-25-16(13-21)14-6-2-1-3-7-14/h1-9,16,20H,10-13H2
InChIKeyHMQSLXIIDHOKLO-UHFFFAOYSA-N
MW394.88 g/mol
LogP2.22
Rot. Bonds5

About 2-chloro-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide

2-chloro-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide (PubChem CID 16895079) has the molecular formula C18H19ClN2O4S and a molecular weight of 394.88 g/mol. Its IUPAC name is 2-chloro-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
PubChem CID16895079
Molecular FormulaC18H19ClN2O4S
Molecular Weight394.88 g/mol
Exact Mass394.08
IUPAC Name2-chloro-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
SMILESO=C(CNS(=O)(=O)c1ccccc1Cl)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C18H19ClN2O4S/c19-15-8-4-5-9-17(15)26(23,24)20-12-18(22)21-10-11-25-16(13-21)14-6-2-1-3-7-14/h1-9,16,20H,10-13H2
InChIKeyHMQSLXIIDHOKLO-UHFFFAOYSA-N
XLogP2.22
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.88
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide (CID 16895079) is 2-chloro-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide is O=C(CNS(=O)(=O)c1ccccc1Cl)N1CCOC(c2ccccc2)C1.
What is the InChIKey of 2-chloro-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide?
The InChIKey is HMQSLXIIDHOKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4S/c19-15-8-4-5-9-17(15)26(23,24)20-12-18(22)21-10-11-25-16(13-21)14-6-2-1-3-7-14/h1-9,16,20H,10-13H2.
What are the key properties of 2-chloro-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide?
2-chloro-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide has a molecular weight of 394.88 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 16895079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).