(2R)-2-amino-3-(2-chlorophenyl)propane-1-sulfonic acid

C9H12ClNO3S — CID 58661581

IUPAC(2R)-2-amino-3-(2-chlorophenyl)propane-1-sulfonic acid
SMILESN[C@H](Cc1ccccc1Cl)CS(=O)(=O)O
InChIInChI=1S/C9H12ClNO3S/c10-9-4-2-1-3-7(9)5-8(11)6-15(12,13)14/h1-4,8H,5-6,11H2,(H,12,13,14)/t8-/m1/s1
InChIKeyAYDRLVQHFVMFLK-MRVPVSSYSA-N
MW249.72 g/mol
LogP1.10
Rot. Bonds4

About (2R)-2-amino-3-(2-chlorophenyl)propane-1-sulfonic acid

(2R)-2-amino-3-(2-chlorophenyl)propane-1-sulfonic acid (PubChem CID 58661581) has the molecular formula C9H12ClNO3S and a molecular weight of 249.72 g/mol. Its IUPAC name is (2R)-2-amino-3-(2-chlorophenyl)propane-1-sulfonic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(2-chlorophenyl)propane-1-sulfonic acid
PubChem CID58661581
Molecular FormulaC9H12ClNO3S
Molecular Weight249.72 g/mol
Exact Mass249.02
IUPAC Name(2R)-2-amino-3-(2-chlorophenyl)propane-1-sulfonic acid
SMILESN[C@H](Cc1ccccc1Cl)CS(=O)(=O)O
InChIInChI=1S/C9H12ClNO3S/c10-9-4-2-1-3-7(9)5-8(11)6-15(12,13)14/h1-4,8H,5-6,11H2,(H,12,13,14)/t8-/m1/s1
InChIKeyAYDRLVQHFVMFLK-MRVPVSSYSA-N
XLogP1.10
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.72
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

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CID 65017932
(2S)-1-(2-chlorophenyl)pentan-2-amine
CID 104932386
methyl 3-amino-4-(2-chlorophenyl)butanoate
CID 168922747
1-(3-chloro-2-fluorophenyl)-3-methylsulfonylpropan-2-amine
CID 102867071
2-(2-chlorophenyl)acetic acid;sulfuric acid
CID 158269272
2-amino-3-[(2-chlorophenyl)methylsulfonyl]propanamide
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2-[2-amino-3-(2-chlorophenyl)propyl]isoindole-1,3-dione
CID 69164248
1-(4-bromophenyl)-3-(2-chlorophenyl)propan-2-amine
CID 60818442
2-(2-chlorophenyl)-1-(4-methylsulfonylphenyl)ethanamine
CID 115796252
(1R)-1,2-bis(2-chlorophenyl)ethanol
CID 86310638
(2S)-3-(2-chlorophenyl)-2-fluoropropan-1-amine
CID 129393023
1-(2-chlorophenyl)-4-(2-methylphenyl)butan-2-amine
CID 62367436

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(2-chlorophenyl)propane-1-sulfonic acid?
The IUPAC name of (2R)-2-amino-3-(2-chlorophenyl)propane-1-sulfonic acid (CID 58661581) is (2R)-2-amino-3-(2-chlorophenyl)propane-1-sulfonic acid.
What is the SMILES notation for (2R)-2-amino-3-(2-chlorophenyl)propane-1-sulfonic acid?
The canonical SMILES for (2R)-2-amino-3-(2-chlorophenyl)propane-1-sulfonic acid is N[C@H](Cc1ccccc1Cl)CS(=O)(=O)O.
What is the InChIKey of (2R)-2-amino-3-(2-chlorophenyl)propane-1-sulfonic acid?
The InChIKey is AYDRLVQHFVMFLK-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H12ClNO3S/c10-9-4-2-1-3-7(9)5-8(11)6-15(12,13)14/h1-4,8H,5-6,11H2,(H,12,13,14)/t8-/m1/s1.
What are the key properties of (2R)-2-amino-3-(2-chlorophenyl)propane-1-sulfonic acid?
(2R)-2-amino-3-(2-chlorophenyl)propane-1-sulfonic acid has a molecular weight of 249.72 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(2-chlorophenyl)propane-1-sulfonic acid is sourced from PubChem (CID 58661581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).