(2S)-4-[(2,4-dichloro-3-fluorophenyl)sulfonylamino]-2-hydroxybutanoic acid

C10H10Cl2FNO5S — CID 103215117

IUPAC(2S)-4-[(2,4-dichloro-3-fluorophenyl)sulfonylamino]-2-hydroxybutanoic acid
SMILESO=C(O)[C@@H](O)CCNS(=O)(=O)c1ccc(Cl)c(F)c1Cl
InChIInChI=1S/C10H10Cl2FNO5S/c11-5-1-2-7(8(12)9(5)13)20(18,19)14-4-3-6(15)10(16)17/h1-2,6,14-15H,3-4H2,(H,16,17)/t6-/m0/s1
InChIKeyUQLAFPCWGSDEMD-LURJTMIESA-N
MW346.16 g/mol
LogP1.25
Rot. Bonds6

About (2S)-4-[(2,4-dichloro-3-fluorophenyl)sulfonylamino]-2-hydroxybutanoic acid

(2S)-4-[(2,4-dichloro-3-fluorophenyl)sulfonylamino]-2-hydroxybutanoic acid (PubChem CID 103215117) has the molecular formula C10H10Cl2FNO5S and a molecular weight of 346.16 g/mol. Its IUPAC name is (2S)-4-[(2,4-dichloro-3-fluorophenyl)sulfonylamino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S)-4-[(2,4-dichloro-3-fluorophenyl)sulfonylamino]-2-hydroxybutanoic acid
PubChem CID103215117
Molecular FormulaC10H10Cl2FNO5S
Molecular Weight346.16 g/mol
Exact Mass344.96
IUPAC Name(2S)-4-[(2,4-dichloro-3-fluorophenyl)sulfonylamino]-2-hydroxybutanoic acid
SMILESO=C(O)[C@@H](O)CCNS(=O)(=O)c1ccc(Cl)c(F)c1Cl
InChIInChI=1S/C10H10Cl2FNO5S/c11-5-1-2-7(8(12)9(5)13)20(18,19)14-4-3-6(15)10(16)17/h1-2,6,14-15H,3-4H2,(H,16,17)/t6-/m0/s1
InChIKeyUQLAFPCWGSDEMD-LURJTMIESA-N
XLogP1.25
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.16
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-3-fluoro-N-(3-hydroxypropyl)benzenesulfonamide
CID 103088486
(2S)-2-[(2,4-dichloro-3-fluorophenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 103087572
2-[(2,4-dichloro-3-fluorophenyl)sulfonylamino]pent-4-ynoic acid
CID 103087832
(2S)-4-[(2-chloro-3-pyridinyl)sulfonylamino]-2-hydroxybutanoic acid
CID 104934121
(2S)-4-amino-2-[(2,4-dichloro-3-fluorophenyl)sulfonylamino]-4-oxobutanoic acid
CID 103087667
N-(4-aminobutyl)-2,4-dichloro-3-fluorobenzenesulfonamide;hydrochloride
CID 120713472
4-[(2,4-dichloro-3-fluorophenyl)sulfonylamino]butanethioamide
CID 103088149
2,4-dichloro-N-[2-(cyclopropylamino)ethyl]-3-fluorobenzenesulfonamide
CID 103088944
N-(2-bromo-4,4-dimethylpentyl)-2,4-dichloro-3-fluorobenzenesulfonamide
CID 107158110
N-(2-bromopentyl)-2,4-dichloro-3-fluorobenzenesulfonamide
CID 103089842
4-[(3-fluoro-2-pyridinyl)sulfonylamino]-2-hydroxybutanoic acid
CID 114006728
(2S)-4-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-2-hydroxybutanoic acid
CID 104934085

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(2,4-dichloro-3-fluorophenyl)sulfonylamino]-2-hydroxybutanoic acid?
The IUPAC name of (2S)-4-[(2,4-dichloro-3-fluorophenyl)sulfonylamino]-2-hydroxybutanoic acid (CID 103215117) is (2S)-4-[(2,4-dichloro-3-fluorophenyl)sulfonylamino]-2-hydroxybutanoic acid.
What is the SMILES notation for (2S)-4-[(2,4-dichloro-3-fluorophenyl)sulfonylamino]-2-hydroxybutanoic acid?
The canonical SMILES for (2S)-4-[(2,4-dichloro-3-fluorophenyl)sulfonylamino]-2-hydroxybutanoic acid is O=C(O)[C@@H](O)CCNS(=O)(=O)c1ccc(Cl)c(F)c1Cl.
What is the InChIKey of (2S)-4-[(2,4-dichloro-3-fluorophenyl)sulfonylamino]-2-hydroxybutanoic acid?
The InChIKey is UQLAFPCWGSDEMD-LURJTMIESA-N. The full InChI is InChI=1S/C10H10Cl2FNO5S/c11-5-1-2-7(8(12)9(5)13)20(18,19)14-4-3-6(15)10(16)17/h1-2,6,14-15H,3-4H2,(H,16,17)/t6-/m0/s1.
What are the key properties of (2S)-4-[(2,4-dichloro-3-fluorophenyl)sulfonylamino]-2-hydroxybutanoic acid?
(2S)-4-[(2,4-dichloro-3-fluorophenyl)sulfonylamino]-2-hydroxybutanoic acid has a molecular weight of 346.16 g/mol, XLogP of 1.25, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(2,4-dichloro-3-fluorophenyl)sulfonylamino]-2-hydroxybutanoic acid is sourced from PubChem (CID 103215117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).