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

C10H11ClFNO5S — CID 104935327

IUPAC(2S,3R)-2-[(2-chloro-4-fluorophenyl)sulfonylamino]-3-hydroxybutanoic acid
SMILESC[C@@H](O)[C@H](NS(=O)(=O)c1ccc(F)cc1Cl)C(=O)O
InChIInChI=1S/C10H11ClFNO5S/c1-5(14)9(10(15)16)13-19(17,18)8-3-2-6(12)4-7(8)11/h2-5,9,13-14H,1H3,(H,15,16)/t5-,9+/m1/s1
InChIKeyVWOMBBHZBBVEPF-ANLVUFKYSA-N
MW311.72 g/mol
LogP0.59
Rot. Bonds5

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

(2S,3R)-2-[(2-chloro-4-fluorophenyl)sulfonylamino]-3-hydroxybutanoic acid (PubChem CID 104935327) has the molecular formula C10H11ClFNO5S and a molecular weight of 311.72 g/mol. Its IUPAC name is (2S,3R)-2-[(2-chloro-4-fluorophenyl)sulfonylamino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S,3R)-2-[(2-chloro-4-fluorophenyl)sulfonylamino]-3-hydroxybutanoic acid
PubChem CID104935327
Molecular FormulaC10H11ClFNO5S
Molecular Weight311.72 g/mol
Exact Mass311.00
IUPAC Name(2S,3R)-2-[(2-chloro-4-fluorophenyl)sulfonylamino]-3-hydroxybutanoic acid
SMILESC[C@@H](O)[C@H](NS(=O)(=O)c1ccc(F)cc1Cl)C(=O)O
InChIInChI=1S/C10H11ClFNO5S/c1-5(14)9(10(15)16)13-19(17,18)8-3-2-6(12)4-7(8)11/h2-5,9,13-14H,1H3,(H,15,16)/t5-,9+/m1/s1
InChIKeyVWOMBBHZBBVEPF-ANLVUFKYSA-N
XLogP0.59
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.72
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-chloro-5-fluorophenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 114517798
2-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 43084117
(2S,3R)-2-[(3-chloro-4-fluorophenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 93302578
(2S)-2-[(2-chloro-4-fluorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 61154149
3-[[(1R,2S)-1-carboxy-2-hydroxypropyl]sulfamoyl]-4-chlorobenzoic acid
CID 7745996
2-[(2-chloro-5-fluorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 105399638
(2R,3S)-2-[(2-chloro-5-fluorophenyl)methylsulfonylamino]-3-hydroxybutanoic acid
CID 166242064
(2S,3S)-2-[(2-chloro-5-fluorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 103862725
2-[(2-chloro-4-fluorophenyl)sulfonylamino]-2-cyclopropylacetic acid
CID 62695010
(2R)-2-[(2-chloro-5-fluorophenyl)sulfonylamino]propanoic acid
CID 103862701
(2R)-2-[(5-fluoro-2-methylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 79010727
2-chloro-4-fluoro-N-[(4R)-5-hydroxy-2-methylheptan-4-yl]benzenesulfonamide
CID 68835906

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-[(2-chloro-4-fluorophenyl)sulfonylamino]-3-hydroxybutanoic acid?
The IUPAC name of (2S,3R)-2-[(2-chloro-4-fluorophenyl)sulfonylamino]-3-hydroxybutanoic acid (CID 104935327) is (2S,3R)-2-[(2-chloro-4-fluorophenyl)sulfonylamino]-3-hydroxybutanoic acid.
What is the SMILES notation for (2S,3R)-2-[(2-chloro-4-fluorophenyl)sulfonylamino]-3-hydroxybutanoic acid?
The canonical SMILES for (2S,3R)-2-[(2-chloro-4-fluorophenyl)sulfonylamino]-3-hydroxybutanoic acid is C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(F)cc1Cl)C(=O)O.
What is the InChIKey of (2S,3R)-2-[(2-chloro-4-fluorophenyl)sulfonylamino]-3-hydroxybutanoic acid?
The InChIKey is VWOMBBHZBBVEPF-ANLVUFKYSA-N. The full InChI is InChI=1S/C10H11ClFNO5S/c1-5(14)9(10(15)16)13-19(17,18)8-3-2-6(12)4-7(8)11/h2-5,9,13-14H,1H3,(H,15,16)/t5-,9+/m1/s1.
What are the key properties of (2S,3R)-2-[(2-chloro-4-fluorophenyl)sulfonylamino]-3-hydroxybutanoic acid?
(2S,3R)-2-[(2-chloro-4-fluorophenyl)sulfonylamino]-3-hydroxybutanoic acid has a molecular weight of 311.72 g/mol, XLogP of 0.59, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-[(2-chloro-4-fluorophenyl)sulfonylamino]-3-hydroxybutanoic acid is sourced from PubChem (CID 104935327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).