(2R)-2-[(2,6-dichlorophenyl)sulfonylamino]propanoate

C9H8Cl2NO4S- — CID 6922951

IUPAC(2R)-2-[(2,6-dichlorophenyl)sulfonylamino]propanoate
SMILESC[C@@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-]
InChIInChI=1S/C9H9Cl2NO4S/c1-5(9(13)14)12-17(15,16)8-6(10)3-2-4-7(8)11/h2-5,12H,1H3,(H,13,14)/p-1/t5-/m1/s1
InChIKeyPAUBDKVONJBMDJ-RXMQYKEDSA-M
MW297.14 g/mol
LogP0.41
Rot. Bonds4

About (2R)-2-[(2,6-dichlorophenyl)sulfonylamino]propanoate

(2R)-2-[(2,6-dichlorophenyl)sulfonylamino]propanoate (PubChem CID 6922951) has the molecular formula C9H8Cl2NO4S- and a molecular weight of 297.14 g/mol. Its IUPAC name is (2R)-2-[(2,6-dichlorophenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name(2R)-2-[(2,6-dichlorophenyl)sulfonylamino]propanoate
PubChem CID6922951
Molecular FormulaC9H8Cl2NO4S-
Molecular Weight297.14 g/mol
Exact Mass295.96
IUPAC Name(2R)-2-[(2,6-dichlorophenyl)sulfonylamino]propanoate
SMILESC[C@@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-]
InChIInChI=1S/C9H9Cl2NO4S/c1-5(9(13)14)12-17(15,16)8-6(10)3-2-4-7(8)11/h2-5,12H,1H3,(H,13,14)/p-1/t5-/m1/s1
InChIKeyPAUBDKVONJBMDJ-RXMQYKEDSA-M
XLogP0.41
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoate
CID 2451311
(2R)-2-[(2,6-dichlorophenyl)sulfonylamino]-3,3-dimethylbutanoic acid
CID 103927101
(2S)-2-[(2,6-dichlorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 61173816
(2R)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 6933874
2,6-dichloro-N-[1-(3-methylsulfonylpyrrolidin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide
CID 90586861
N-benzhydryl-2,6-dichlorobenzenesulfonamide
CID 3332711
(2S)-2-[(2,6-dichlorophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)propanamide
CID 40881956
2,6-dichloro-N-(1-cyclobutylethyl)benzenesulfonamide
CID 75469798
2,6-dichloro-N-[(1S)-1-cyclobutylethyl]benzenesulfonamide
CID 97327429
2-[[5-(4-chlorophenyl)sulfonyl-2-methylphenyl]sulfonylamino]propanoate
CID 78554929
(2R)-2-[(2-bromo-6-chlorophenyl)sulfonylamino]-3-methylbutanoic acid
CID 120782373
(2S)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanoate
CID 6922915

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2,6-dichlorophenyl)sulfonylamino]propanoate?
The IUPAC name of (2R)-2-[(2,6-dichlorophenyl)sulfonylamino]propanoate (CID 6922951) is (2R)-2-[(2,6-dichlorophenyl)sulfonylamino]propanoate.
What is the SMILES notation for (2R)-2-[(2,6-dichlorophenyl)sulfonylamino]propanoate?
The canonical SMILES for (2R)-2-[(2,6-dichlorophenyl)sulfonylamino]propanoate is C[C@@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-].
What is the InChIKey of (2R)-2-[(2,6-dichlorophenyl)sulfonylamino]propanoate?
The InChIKey is PAUBDKVONJBMDJ-RXMQYKEDSA-M. The full InChI is InChI=1S/C9H9Cl2NO4S/c1-5(9(13)14)12-17(15,16)8-6(10)3-2-4-7(8)11/h2-5,12H,1H3,(H,13,14)/p-1/t5-/m1/s1.
What are the key properties of (2R)-2-[(2,6-dichlorophenyl)sulfonylamino]propanoate?
(2R)-2-[(2,6-dichlorophenyl)sulfonylamino]propanoate has a molecular weight of 297.14 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2,6-dichlorophenyl)sulfonylamino]propanoate is sourced from PubChem (CID 6922951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).