2-(4-chlorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)ethenesulfonamide

C15H21ClN2O4S — CID 71900151

IUPAC2-(4-chlorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)ethenesulfonamide
SMILESO=S(=O)(C=Cc1ccc(Cl)cc1)NCC(O)CN1CCOCC1
InChIInChI=1S/C15H21ClN2O4S/c16-14-3-1-13(2-4-14)5-10-23(20,21)17-11-15(19)12-18-6-8-22-9-7-18/h1-5,10,15,17,19H,6-9,11-12H2
InChIKeyXGRFCIGTCXMCMT-UHFFFAOYSA-N
MW360.86 g/mol
LogP0.92
Rot. Bonds7

About 2-(4-chlorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)ethenesulfonamide

2-(4-chlorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)ethenesulfonamide (PubChem CID 71900151) has the molecular formula C15H21ClN2O4S and a molecular weight of 360.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)ethenesulfonamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)ethenesulfonamide
PubChem CID71900151
Molecular FormulaC15H21ClN2O4S
Molecular Weight360.86 g/mol
Exact Mass360.09
IUPAC Name2-(4-chlorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)ethenesulfonamide
SMILESO=S(=O)(C=Cc1ccc(Cl)cc1)NCC(O)CN1CCOCC1
InChIInChI=1S/C15H21ClN2O4S/c16-14-3-1-13(2-4-14)5-10-23(20,21)17-11-15(19)12-18-6-8-22-9-7-18/h1-5,10,15,17,19H,6-9,11-12H2
InChIKeyXGRFCIGTCXMCMT-UHFFFAOYSA-N
XLogP0.92
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.86
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-(4-chloroanilino)-3-morpholin-4-ylpropan-2-ol
CID 92856830
(2S)-3-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-2-hydroxypropanoic acid
CID 104935897
(E)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-2-phenylethenesulfonamide
CID 8845009
N-(2-hydroxy-3-morpholin-4-ylpropyl)-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 78833549
4-chloro-N-(2-methyl-3-morpholin-4-ylpropyl)benzenesulfonamide
CID 110440458
1-(2,6-dichloroanilino)-3-morpholin-4-ylpropan-2-ol
CID 65468625
N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-(2-methylpropyl)benzenesulfonamide
CID 78874200
3-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]propanoic acid
CID 43237715
4-cyclohexyl-N-(2-hydroxy-3-morpholin-4-ylpropyl)benzenesulfonamide
CID 78833551
1-morpholin-4-yl-3-(2,3,4-trifluoroanilino)propan-2-ol
CID 60896358
1-(2-chloroanilino)-3-morpholin-4-ylpropan-2-ol
CID 60898557
5-(4-chlorophenyl)-2-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1,2-oxazol-3-one
CID 22844236

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)ethenesulfonamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)ethenesulfonamide (CID 71900151) is 2-(4-chlorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)ethenesulfonamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)ethenesulfonamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)ethenesulfonamide is O=S(=O)(C=Cc1ccc(Cl)cc1)NCC(O)CN1CCOCC1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)ethenesulfonamide?
The InChIKey is XGRFCIGTCXMCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O4S/c16-14-3-1-13(2-4-14)5-10-23(20,21)17-11-15(19)12-18-6-8-22-9-7-18/h1-5,10,15,17,19H,6-9,11-12H2.
What are the key properties of 2-(4-chlorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)ethenesulfonamide?
2-(4-chlorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)ethenesulfonamide has a molecular weight of 360.86 g/mol, XLogP of 0.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)ethenesulfonamide is sourced from PubChem (CID 71900151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).