N-(2-morpholin-4-yl-2-oxo-1-phenylethyl)benzenesulfonamide

C18H20N2O4S — CID 6459702

IUPACN-(2-morpholin-4-yl-2-oxo-1-phenylethyl)benzenesulfonamide
SMILESO=C(C(NS(=O)(=O)c1ccccc1)c1ccccc1)N1CCOCC1
InChIInChI=1S/C18H20N2O4S/c21-18(20-11-13-24-14-12-20)17(15-7-3-1-4-8-15)19-25(22,23)16-9-5-2-6-10-16/h1-10,17,19H,11-14H2
InChIKeyHHWXRRVUWZTJOY-UHFFFAOYSA-N
MW360.44 g/mol
LogP1.57
Rot. Bonds5

About N-(2-morpholin-4-yl-2-oxo-1-phenylethyl)benzenesulfonamide

N-(2-morpholin-4-yl-2-oxo-1-phenylethyl)benzenesulfonamide (PubChem CID 6459702) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-2-oxo-1-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-2-oxo-1-phenylethyl)benzenesulfonamide
PubChem CID6459702
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC NameN-(2-morpholin-4-yl-2-oxo-1-phenylethyl)benzenesulfonamide
SMILESO=C(C(NS(=O)(=O)c1ccccc1)c1ccccc1)N1CCOCC1
InChIInChI=1S/C18H20N2O4S/c21-18(20-11-13-24-14-12-20)17(15-7-3-1-4-8-15)19-25(22,23)16-9-5-2-6-10-16/h1-10,17,19H,11-14H2
InChIKeyHHWXRRVUWZTJOY-UHFFFAOYSA-N
XLogP1.57
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-2-oxo-1-phenylethyl)benzenesulfonamide?
The IUPAC name of N-(2-morpholin-4-yl-2-oxo-1-phenylethyl)benzenesulfonamide (CID 6459702) is N-(2-morpholin-4-yl-2-oxo-1-phenylethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-morpholin-4-yl-2-oxo-1-phenylethyl)benzenesulfonamide?
The canonical SMILES for N-(2-morpholin-4-yl-2-oxo-1-phenylethyl)benzenesulfonamide is O=C(C(NS(=O)(=O)c1ccccc1)c1ccccc1)N1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-yl-2-oxo-1-phenylethyl)benzenesulfonamide?
The InChIKey is HHWXRRVUWZTJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c21-18(20-11-13-24-14-12-20)17(15-7-3-1-4-8-15)19-25(22,23)16-9-5-2-6-10-16/h1-10,17,19H,11-14H2.
What are the key properties of N-(2-morpholin-4-yl-2-oxo-1-phenylethyl)benzenesulfonamide?
N-(2-morpholin-4-yl-2-oxo-1-phenylethyl)benzenesulfonamide has a molecular weight of 360.44 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-2-oxo-1-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 6459702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).