3-(4-chlorophenyl)-3-(morpholin-4-ylsulfonylamino)propanoic acid

C13H17ClN2O5S — CID 75405739

IUPAC3-(4-chlorophenyl)-3-(morpholin-4-ylsulfonylamino)propanoic acid
SMILESO=C(O)CC(NS(=O)(=O)N1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O5S/c14-11-3-1-10(2-4-11)12(9-13(17)18)15-22(19,20)16-5-7-21-8-6-16/h1-4,12,15H,5-9H2,(H,17,18)
InChIKeyKYBVSVPVCPRRFK-UHFFFAOYSA-N
MW348.81 g/mol
LogP1.02
Rot. Bonds6

About 3-(4-chlorophenyl)-3-(morpholin-4-ylsulfonylamino)propanoic acid

3-(4-chlorophenyl)-3-(morpholin-4-ylsulfonylamino)propanoic acid (PubChem CID 75405739) has the molecular formula C13H17ClN2O5S and a molecular weight of 348.81 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-3-(morpholin-4-ylsulfonylamino)propanoic acid.

Molecular Properties

Compound Name3-(4-chlorophenyl)-3-(morpholin-4-ylsulfonylamino)propanoic acid
PubChem CID75405739
Molecular FormulaC13H17ClN2O5S
Molecular Weight348.81 g/mol
Exact Mass348.05
IUPAC Name3-(4-chlorophenyl)-3-(morpholin-4-ylsulfonylamino)propanoic acid
SMILESO=C(O)CC(NS(=O)(=O)N1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O5S/c14-11-3-1-10(2-4-11)12(9-13(17)18)15-22(19,20)16-5-7-21-8-6-16/h1-4,12,15H,5-9H2,(H,17,18)
InChIKeyKYBVSVPVCPRRFK-UHFFFAOYSA-N
XLogP1.02
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-2-fluoro-1-[4-(trifluoromethyl)phenyl]ethyl]morpholine-4-sulfonamide
CID 172615033
N-[(4-chlorophenyl)methyl]morpholine-4-sulfonamide
CID 51335123
N-[(1S)-2-morpholin-4-yl-1-phenylethyl]pyrrolidine-1-sulfonamide
CID 51872327
(3S)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoic acid
CID 2424184
(3S)-3-(4-chlorophenyl)-3-[[5-methyl-1-(oxan-4-yl)pyrazole-4-carbonyl]amino]propanoic acid
CID 120531556
(3S)-3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]-3-(4-methylphenyl)propanoic acid
CID 1261101
3-(4-chlorophenyl)-3-(naphthalen-1-ylsulfonylamino)propanoic acid
CID 139827869
N-[1-(4-chlorophenyl)propyl]-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 55540758
(3R)-3-(4-chlorophenyl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 26317426
N-[1-(4-ethylphenyl)ethyl]morpholine-4-sulfonamide
CID 47141626
2-(4-chlorophenyl)sulfonyl-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 24560111
(2S)-2-(morpholin-4-ylsulfonylamino)propanoic acid
CID 10354183

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-3-(morpholin-4-ylsulfonylamino)propanoic acid?
The IUPAC name of 3-(4-chlorophenyl)-3-(morpholin-4-ylsulfonylamino)propanoic acid (CID 75405739) is 3-(4-chlorophenyl)-3-(morpholin-4-ylsulfonylamino)propanoic acid.
What is the SMILES notation for 3-(4-chlorophenyl)-3-(morpholin-4-ylsulfonylamino)propanoic acid?
The canonical SMILES for 3-(4-chlorophenyl)-3-(morpholin-4-ylsulfonylamino)propanoic acid is O=C(O)CC(NS(=O)(=O)N1CCOCC1)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-3-(morpholin-4-ylsulfonylamino)propanoic acid?
The InChIKey is KYBVSVPVCPRRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O5S/c14-11-3-1-10(2-4-11)12(9-13(17)18)15-22(19,20)16-5-7-21-8-6-16/h1-4,12,15H,5-9H2,(H,17,18).
What are the key properties of 3-(4-chlorophenyl)-3-(morpholin-4-ylsulfonylamino)propanoic acid?
3-(4-chlorophenyl)-3-(morpholin-4-ylsulfonylamino)propanoic acid has a molecular weight of 348.81 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-3-(morpholin-4-ylsulfonylamino)propanoic acid is sourced from PubChem (CID 75405739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).