(2S)-3-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-2-hydroxypropanoic acid

C11H12ClNO5S — CID 104935897

IUPAC(2S)-3-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-2-hydroxypropanoic acid
SMILESO=C(O)[C@@H](O)CNS(=O)(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClNO5S/c12-9-3-1-8(2-4-9)5-6-19(17,18)13-7-10(14)11(15)16/h1-6,10,13-14H,7H2,(H,15,16)/b6-5+/t10-/m0/s1
InChIKeyPIMXYIHXNFMSDB-PORFMDCZSA-N
MW305.74 g/mol
LogP0.68
Rot. Bonds6

About (2S)-3-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-2-hydroxypropanoic acid

(2S)-3-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-2-hydroxypropanoic acid (PubChem CID 104935897) has the molecular formula C11H12ClNO5S and a molecular weight of 305.74 g/mol. Its IUPAC name is (2S)-3-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-3-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-2-hydroxypropanoic acid
PubChem CID104935897
Molecular FormulaC11H12ClNO5S
Molecular Weight305.74 g/mol
Exact Mass305.01
IUPAC Name(2S)-3-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-2-hydroxypropanoic acid
SMILESO=C(O)[C@@H](O)CNS(=O)(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClNO5S/c12-9-3-1-8(2-4-9)5-6-19(17,18)13-7-10(14)11(15)16/h1-6,10,13-14H,7H2,(H,15,16)/b6-5+/t10-/m0/s1
InChIKeyPIMXYIHXNFMSDB-PORFMDCZSA-N
XLogP0.68
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.74
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]propanoic acid
CID 43237715
2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]butanedioic acid
CID 78907343
2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-N-methylacetamide
CID 9302302
(E)-N-(2-amino-4-methylpentyl)-2-(4-chlorophenyl)ethenesulfonamide
CID 43606431
2-(4-chlorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)ethenesulfonamide
CID 71900151
ethyl 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]acetate
CID 54921365
(E)-2-(4-chlorophenyl)-N-[2-(dimethylamino)-3-phenylpropyl]ethenesulfonamide
CID 55353883
3-[4-[2-[2-(4-chlorophenyl)ethenylsulfonylamino]ethyl]phenyl]prop-2-enoic acid
CID 54514129
2-[4-[2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]ethyl]phenyl]acetic acid
CID 12945837
2-(4-chlorophenyl)-N-[2-(propan-2-ylamino)ethyl]ethenesulfonamide
CID 76948208
(E)-2-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]ethenesulfonamide
CID 8716803
(Z)-2-(4-chlorophenyl)-N-pentan-3-ylethenesulfonamide
CID 99918665

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-2-hydroxypropanoic acid?
The IUPAC name of (2S)-3-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-2-hydroxypropanoic acid (CID 104935897) is (2S)-3-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-2-hydroxypropanoic acid.
What is the SMILES notation for (2S)-3-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-2-hydroxypropanoic acid?
The canonical SMILES for (2S)-3-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-2-hydroxypropanoic acid is O=C(O)[C@@H](O)CNS(=O)(=O)/C=C/c1ccc(Cl)cc1.
What is the InChIKey of (2S)-3-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-2-hydroxypropanoic acid?
The InChIKey is PIMXYIHXNFMSDB-PORFMDCZSA-N. The full InChI is InChI=1S/C11H12ClNO5S/c12-9-3-1-8(2-4-9)5-6-19(17,18)13-7-10(14)11(15)16/h1-6,10,13-14H,7H2,(H,15,16)/b6-5+/t10-/m0/s1.
What are the key properties of (2S)-3-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-2-hydroxypropanoic acid?
(2S)-3-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-2-hydroxypropanoic acid has a molecular weight of 305.74 g/mol, XLogP of 0.68, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-2-hydroxypropanoic acid is sourced from PubChem (CID 104935897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).