ethane;3-(2-hydroxypropan-2-yl)-5-morpholin-4-ylbenzenesulfonamide

C15H26N2O4S — CID 145387625

IUPACethane;3-(2-hydroxypropan-2-yl)-5-morpholin-4-ylbenzenesulfonamide
SMILESCC.CC(C)(O)c1cc(N2CCOCC2)cc(S(N)(=O)=O)c1
InChIInChI=1S/C13H20N2O4S.C2H6/c1-13(2,16)10-7-11(15-3-5-19-6-4-15)9-12(8-10)20(14,17)18;1-2/h7-9,16H,3-6H2,1-2H3,(H2,14,17,18);1-2H3
InChIKeyNMISXXAWPPCXMA-UHFFFAOYSA-N
MW330.45 g/mol
LogP1.42
Rot. Bonds3

About ethane;3-(2-hydroxypropan-2-yl)-5-morpholin-4-ylbenzenesulfonamide

ethane;3-(2-hydroxypropan-2-yl)-5-morpholin-4-ylbenzenesulfonamide (PubChem CID 145387625) has the molecular formula C15H26N2O4S and a molecular weight of 330.45 g/mol. Its IUPAC name is ethane;3-(2-hydroxypropan-2-yl)-5-morpholin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Nameethane;3-(2-hydroxypropan-2-yl)-5-morpholin-4-ylbenzenesulfonamide
PubChem CID145387625
Molecular FormulaC15H26N2O4S
Molecular Weight330.45 g/mol
Exact Mass330.16
IUPAC Nameethane;3-(2-hydroxypropan-2-yl)-5-morpholin-4-ylbenzenesulfonamide
SMILESCC.CC(C)(O)c1cc(N2CCOCC2)cc(S(N)(=O)=O)c1
InChIInChI=1S/C13H20N2O4S.C2H6/c1-13(2,16)10-7-11(15-3-5-19-6-4-15)9-12(8-10)20(14,17)18;1-2/h7-9,16H,3-6H2,1-2H3,(H2,14,17,18);1-2H3
InChIKeyNMISXXAWPPCXMA-UHFFFAOYSA-N
XLogP1.42
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane;3-(2-hydroxypropan-2-yl)-5-morpholin-4-ylbenzenesulfonamide?
The IUPAC name of ethane;3-(2-hydroxypropan-2-yl)-5-morpholin-4-ylbenzenesulfonamide (CID 145387625) is ethane;3-(2-hydroxypropan-2-yl)-5-morpholin-4-ylbenzenesulfonamide.
What is the SMILES notation for ethane;3-(2-hydroxypropan-2-yl)-5-morpholin-4-ylbenzenesulfonamide?
The canonical SMILES for ethane;3-(2-hydroxypropan-2-yl)-5-morpholin-4-ylbenzenesulfonamide is CC.CC(C)(O)c1cc(N2CCOCC2)cc(S(N)(=O)=O)c1.
What is the InChIKey of ethane;3-(2-hydroxypropan-2-yl)-5-morpholin-4-ylbenzenesulfonamide?
The InChIKey is NMISXXAWPPCXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S.C2H6/c1-13(2,16)10-7-11(15-3-5-19-6-4-15)9-12(8-10)20(14,17)18;1-2/h7-9,16H,3-6H2,1-2H3,(H2,14,17,18);1-2H3.
What are the key properties of ethane;3-(2-hydroxypropan-2-yl)-5-morpholin-4-ylbenzenesulfonamide?
ethane;3-(2-hydroxypropan-2-yl)-5-morpholin-4-ylbenzenesulfonamide has a molecular weight of 330.45 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(2-hydroxypropan-2-yl)-5-morpholin-4-ylbenzenesulfonamide is sourced from PubChem (CID 145387625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).