2-amino-3-(2-chlorophenyl)sulfonylpropanoic acid

C9H10ClNO4S — CID 65442832

IUPAC2-amino-3-(2-chlorophenyl)sulfonylpropanoic acid
SMILESNC(CS(=O)(=O)c1ccccc1Cl)C(=O)O
InChIInChI=1S/C9H10ClNO4S/c10-6-3-1-2-4-8(6)16(14,15)5-7(11)9(12)13/h1-4,7H,5,11H2,(H,12,13)
InChIKeyYVRUHJZYEIVPSI-UHFFFAOYSA-N
MW263.70 g/mol
LogP0.53
Rot. Bonds4

About 2-amino-3-(2-chlorophenyl)sulfonylpropanoic acid

2-amino-3-(2-chlorophenyl)sulfonylpropanoic acid (PubChem CID 65442832) has the molecular formula C9H10ClNO4S and a molecular weight of 263.70 g/mol. Its IUPAC name is 2-amino-3-(2-chlorophenyl)sulfonylpropanoic acid.

Molecular Properties

Compound Name2-amino-3-(2-chlorophenyl)sulfonylpropanoic acid
PubChem CID65442832
Molecular FormulaC9H10ClNO4S
Molecular Weight263.70 g/mol
Exact Mass263.00
IUPAC Name2-amino-3-(2-chlorophenyl)sulfonylpropanoic acid
SMILESNC(CS(=O)(=O)c1ccccc1Cl)C(=O)O
InChIInChI=1S/C9H10ClNO4S/c10-6-3-1-2-4-8(6)16(14,15)5-7(11)9(12)13/h1-4,7H,5,11H2,(H,12,13)
InChIKeyYVRUHJZYEIVPSI-UHFFFAOYSA-N
XLogP0.53
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.70
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetamido-3-(2-chlorophenyl)sulfonylpropanoic acid
CID 64583138
2-(2-chlorophenyl)sulfonylacetamide
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CID 70070623
4-(2-chlorophenyl)sulfonyl-3-methylbutan-1-ol
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2-amino-3-(3-chloro-4-fluorophenyl)sulfonylpropanoic acid
CID 65443416
2-(2-chlorophenyl)sulfonyl-1-cyclohexylethanamine
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1-(2-bromo-3,3,3-trifluoropropyl)sulfonyl-2-chlorobenzene
CID 64757505
2-amino-3-(2,5-dimethylphenyl)sulfonylpropanoic acid
CID 65442837
1-(2-chlorophenyl)sulfonyl-3-methoxypropan-2-ol
CID 107508912
2-amino-3-benzylsulfonylpropanoic acid
CID 4142691
2-(2-chlorophenyl)sulfonyl-1-(4-methylphenyl)ethanol
CID 106585066
2-(2-chlorophenyl)sulfonyl-1-(2-methylphenyl)ethanol
CID 106585088

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-chlorophenyl)sulfonylpropanoic acid?
The IUPAC name of 2-amino-3-(2-chlorophenyl)sulfonylpropanoic acid (CID 65442832) is 2-amino-3-(2-chlorophenyl)sulfonylpropanoic acid.
What is the SMILES notation for 2-amino-3-(2-chlorophenyl)sulfonylpropanoic acid?
The canonical SMILES for 2-amino-3-(2-chlorophenyl)sulfonylpropanoic acid is NC(CS(=O)(=O)c1ccccc1Cl)C(=O)O.
What is the InChIKey of 2-amino-3-(2-chlorophenyl)sulfonylpropanoic acid?
The InChIKey is YVRUHJZYEIVPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO4S/c10-6-3-1-2-4-8(6)16(14,15)5-7(11)9(12)13/h1-4,7H,5,11H2,(H,12,13).
What are the key properties of 2-amino-3-(2-chlorophenyl)sulfonylpropanoic acid?
2-amino-3-(2-chlorophenyl)sulfonylpropanoic acid has a molecular weight of 263.70 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-chlorophenyl)sulfonylpropanoic acid is sourced from PubChem (CID 65442832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).