(2S)-2-[4-chloro-2-(4-morpholin-4-ylsulfonylphenyl)phenoxy]propanoic acid

C19H20ClNO6S — CID 11750653

IUPAC(2S)-2-[4-chloro-2-(4-morpholin-4-ylsulfonylphenyl)phenoxy]propanoic acid
SMILESC[C@H](Oc1ccc(Cl)cc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)O
InChIInChI=1S/C19H20ClNO6S/c1-13(19(22)23)27-18-7-4-15(20)12-17(18)14-2-5-16(6-3-14)28(24,25)21-8-10-26-11-9-21/h2-7,12-13H,8-11H2,1H3,(H,22,23)/t13-/m0/s1
InChIKeyUIRDWYDLVOOGNI-ZDUSSCGKSA-N
MW425.89 g/mol
LogP2.88
Rot. Bonds6

About (2S)-2-[4-chloro-2-(4-morpholin-4-ylsulfonylphenyl)phenoxy]propanoic acid

(2S)-2-[4-chloro-2-(4-morpholin-4-ylsulfonylphenyl)phenoxy]propanoic acid (PubChem CID 11750653) has the molecular formula C19H20ClNO6S and a molecular weight of 425.89 g/mol. Its IUPAC name is (2S)-2-[4-chloro-2-(4-morpholin-4-ylsulfonylphenyl)phenoxy]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[4-chloro-2-(4-morpholin-4-ylsulfonylphenyl)phenoxy]propanoic acid
PubChem CID11750653
Molecular FormulaC19H20ClNO6S
Molecular Weight425.89 g/mol
Exact Mass425.07
IUPAC Name(2S)-2-[4-chloro-2-(4-morpholin-4-ylsulfonylphenyl)phenoxy]propanoic acid
SMILESC[C@H](Oc1ccc(Cl)cc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)O
InChIInChI=1S/C19H20ClNO6S/c1-13(19(22)23)27-18-7-4-15(20)12-17(18)14-2-5-16(6-3-14)28(24,25)21-8-10-26-11-9-21/h2-7,12-13H,8-11H2,1H3,(H,22,23)/t13-/m0/s1
InChIKeyUIRDWYDLVOOGNI-ZDUSSCGKSA-N
XLogP2.88
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.89
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[4-chloro-2-(4-morpholin-4-ylsulfonylphenyl)phenoxy]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[4-chloro-2-[4-morpholin-4-ylsulfonyl-3-(trifluoromethyl)phenyl]phenoxy]propanoic acid
CID 11598424
2-(4-chloro-2-fluorophenoxy)-2-(4-morpholin-4-ylsulfonylphenyl)acetic acid
CID 66616666
4-(3-chloro-4-propan-2-yloxyphenyl)sulfonylmorpholine
CID 110758270
2-(2,4-dichlorophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 1080666
2-(4-morpholin-4-ylsulfonylphenyl)propanoic acid
CID 57373716
(2R)-1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2,4-dichlorophenoxy)propan-1-one
CID 26201301
2-(2,4-dichlorophenoxy)propanoic acid
CID 8427
[2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 98388003
N-[4-[[5-chloro-2-[(4-morpholin-4-ylsulfonylphenyl)methoxy]phenyl]sulfamoyl]phenyl]acetamide
CID 177311374
[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 4-morpholin-4-ylsulfonylbenzoate
CID 26464654
[(2S)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 4-morpholin-4-ylsulfonylbenzoate
CID 26464649
[(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 4-morpholin-4-ylsulfonylbenzoate
CID 26464655

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-chloro-2-(4-morpholin-4-ylsulfonylphenyl)phenoxy]propanoic acid?
The IUPAC name of (2S)-2-[4-chloro-2-(4-morpholin-4-ylsulfonylphenyl)phenoxy]propanoic acid (CID 11750653) is (2S)-2-[4-chloro-2-(4-morpholin-4-ylsulfonylphenyl)phenoxy]propanoic acid.
What is the SMILES notation for (2S)-2-[4-chloro-2-(4-morpholin-4-ylsulfonylphenyl)phenoxy]propanoic acid?
The canonical SMILES for (2S)-2-[4-chloro-2-(4-morpholin-4-ylsulfonylphenyl)phenoxy]propanoic acid is C[C@H](Oc1ccc(Cl)cc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)O.
What is the InChIKey of (2S)-2-[4-chloro-2-(4-morpholin-4-ylsulfonylphenyl)phenoxy]propanoic acid?
The InChIKey is UIRDWYDLVOOGNI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20ClNO6S/c1-13(19(22)23)27-18-7-4-15(20)12-17(18)14-2-5-16(6-3-14)28(24,25)21-8-10-26-11-9-21/h2-7,12-13H,8-11H2,1H3,(H,22,23)/t13-/m0/s1.
What are the key properties of (2S)-2-[4-chloro-2-(4-morpholin-4-ylsulfonylphenyl)phenoxy]propanoic acid?
(2S)-2-[4-chloro-2-(4-morpholin-4-ylsulfonylphenyl)phenoxy]propanoic acid has a molecular weight of 425.89 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-chloro-2-(4-morpholin-4-ylsulfonylphenyl)phenoxy]propanoic acid is sourced from PubChem (CID 11750653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).