2-[(2,5-dichlorophenyl)sulfonylamino]-4-hydroxybutanoic acid

C10H11Cl2NO5S — CID 61244796

IUPAC2-[(2,5-dichlorophenyl)sulfonylamino]-4-hydroxybutanoic acid
SMILESO=C(O)C(CCO)NS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C10H11Cl2NO5S/c11-6-1-2-7(12)9(5-6)19(17,18)13-8(3-4-14)10(15)16/h1-2,5,8,13-14H,3-4H2,(H,15,16)
InChIKeyDWZLFBJMJKFVMO-UHFFFAOYSA-N
MW328.17 g/mol
LogP1.11
Rot. Bonds6

About 2-[(2,5-dichlorophenyl)sulfonylamino]-4-hydroxybutanoic acid

2-[(2,5-dichlorophenyl)sulfonylamino]-4-hydroxybutanoic acid (PubChem CID 61244796) has the molecular formula C10H11Cl2NO5S and a molecular weight of 328.17 g/mol. Its IUPAC name is 2-[(2,5-dichlorophenyl)sulfonylamino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[(2,5-dichlorophenyl)sulfonylamino]-4-hydroxybutanoic acid
PubChem CID61244796
Molecular FormulaC10H11Cl2NO5S
Molecular Weight328.17 g/mol
Exact Mass326.97
IUPAC Name2-[(2,5-dichlorophenyl)sulfonylamino]-4-hydroxybutanoic acid
SMILESO=C(O)C(CCO)NS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C10H11Cl2NO5S/c11-6-1-2-7(12)9(5-6)19(17,18)13-8(3-4-14)10(15)16/h1-2,5,8,13-14H,3-4H2,(H,15,16)
InChIKeyDWZLFBJMJKFVMO-UHFFFAOYSA-N
XLogP1.11
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.17
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(2,5-dichlorophenyl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 2121600
2-[(4-chloro-2-methylphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244229
(2S)-2-[(2-chloro-4-methylphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 104935068
(2S)-4-hydroxy-2-[(2,4,6-trichlorophenyl)sulfonylamino]butanoic acid
CID 104935094
4-hydroxy-2-[(2,4,6-trichlorophenyl)sulfonylamino]butanoic acid
CID 61244228
2-[(2-chloro-5-fluorophenyl)sulfonylamino]pentanoic acid
CID 104739176
methyl 2-[(2,5-dichlorophenyl)sulfonylamino]butanoate
CID 113253329
2-[(2,5-dichlorophenyl)sulfonylamino]-2-phenylacetic acid
CID 71563429
(2S)-2-[(2,4-dichlorophenyl)sulfonylamino]butanedioic acid
CID 154863455
(2R)-2-[(4-chloro-3-nitrophenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 107824092
(2R)-2-[(2-fluoro-5-nitrophenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 107824112
2,5-dichloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103837069

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichlorophenyl)sulfonylamino]-4-hydroxybutanoic acid?
The IUPAC name of 2-[(2,5-dichlorophenyl)sulfonylamino]-4-hydroxybutanoic acid (CID 61244796) is 2-[(2,5-dichlorophenyl)sulfonylamino]-4-hydroxybutanoic acid.
What is the SMILES notation for 2-[(2,5-dichlorophenyl)sulfonylamino]-4-hydroxybutanoic acid?
The canonical SMILES for 2-[(2,5-dichlorophenyl)sulfonylamino]-4-hydroxybutanoic acid is O=C(O)C(CCO)NS(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[(2,5-dichlorophenyl)sulfonylamino]-4-hydroxybutanoic acid?
The InChIKey is DWZLFBJMJKFVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO5S/c11-6-1-2-7(12)9(5-6)19(17,18)13-8(3-4-14)10(15)16/h1-2,5,8,13-14H,3-4H2,(H,15,16).
What are the key properties of 2-[(2,5-dichlorophenyl)sulfonylamino]-4-hydroxybutanoic acid?
2-[(2,5-dichlorophenyl)sulfonylamino]-4-hydroxybutanoic acid has a molecular weight of 328.17 g/mol, XLogP of 1.11, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichlorophenyl)sulfonylamino]-4-hydroxybutanoic acid is sourced from PubChem (CID 61244796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).