(2R)-2-(3-chloro-N-methylsulfonylanilino)propanoic acid

C10H12ClNO4S — CID 7393703

IUPAC(2R)-2-(3-chloro-N-methylsulfonylanilino)propanoic acid
SMILESC[C@H](C(=O)O)N(c1cccc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C10H12ClNO4S/c1-7(10(13)14)12(17(2,15)16)9-5-3-4-8(11)6-9/h3-7H,1-2H3,(H,13,14)/t7-/m1/s1
InChIKeyCGIDUVLBGIJSEL-SSDOTTSWSA-N
MW277.73 g/mol
LogP1.58
Rot. Bonds4

About (2R)-2-(3-chloro-N-methylsulfonylanilino)propanoic acid

(2R)-2-(3-chloro-N-methylsulfonylanilino)propanoic acid (PubChem CID 7393703) has the molecular formula C10H12ClNO4S and a molecular weight of 277.73 g/mol. Its IUPAC name is (2R)-2-(3-chloro-N-methylsulfonylanilino)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(3-chloro-N-methylsulfonylanilino)propanoic acid
PubChem CID7393703
Molecular FormulaC10H12ClNO4S
Molecular Weight277.73 g/mol
Exact Mass277.02
IUPAC Name(2R)-2-(3-chloro-N-methylsulfonylanilino)propanoic acid
SMILESC[C@H](C(=O)O)N(c1cccc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C10H12ClNO4S/c1-7(10(13)14)12(17(2,15)16)9-5-3-4-8(11)6-9/h3-7H,1-2H3,(H,13,14)/t7-/m1/s1
InChIKeyCGIDUVLBGIJSEL-SSDOTTSWSA-N
XLogP1.58
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3-chloro-N-methylsulfonylanilino)propanoate
CID 7393700
(2R)-2-(3-chloro-N-methylsulfonylanilino)propanamide
CID 7393668
(2R)-2-(3-chloro-N-methylsulfonylanilino)-N,N-dimethylpropanamide
CID 40635196
2-(3-chloro-N-ethylsulfonylanilino)propanoic acid
CID 50890299
2-(3-chloro-N-methylsulfonylanilino)-N-methylpropanamide
CID 2987852
(2R)-2-(3-chloro-N-methylsulfonylanilino)-N-propan-2-ylpropanamide
CID 124561243
2-(3-chloro-N-methylsulfonylanilino)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 46771727
(2S)-2-(3-chloro-N-methylsulfonylanilino)-N-[(2S)-2-phenylpropyl]propanamide
CID 125064726
2-(3-chloro-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide
CID 53281520
2-(3-chloro-N-methylsulfonylanilino)-N-(3-methyl-1-phenylbutyl)propanamide
CID 43907550
(2S)-2-(3-chloro-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)propanamide
CID 124561308
(2S)-2-(N-acetyl-3-chloroanilino)propanoic acid
CID 150639121

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chloro-N-methylsulfonylanilino)propanoic acid?
The IUPAC name of (2R)-2-(3-chloro-N-methylsulfonylanilino)propanoic acid (CID 7393703) is (2R)-2-(3-chloro-N-methylsulfonylanilino)propanoic acid.
What is the SMILES notation for (2R)-2-(3-chloro-N-methylsulfonylanilino)propanoic acid?
The canonical SMILES for (2R)-2-(3-chloro-N-methylsulfonylanilino)propanoic acid is C[C@H](C(=O)O)N(c1cccc(Cl)c1)S(C)(=O)=O.
What is the InChIKey of (2R)-2-(3-chloro-N-methylsulfonylanilino)propanoic acid?
The InChIKey is CGIDUVLBGIJSEL-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H12ClNO4S/c1-7(10(13)14)12(17(2,15)16)9-5-3-4-8(11)6-9/h3-7H,1-2H3,(H,13,14)/t7-/m1/s1.
What are the key properties of (2R)-2-(3-chloro-N-methylsulfonylanilino)propanoic acid?
(2R)-2-(3-chloro-N-methylsulfonylanilino)propanoic acid has a molecular weight of 277.73 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chloro-N-methylsulfonylanilino)propanoic acid is sourced from PubChem (CID 7393703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).