2-(2,3-dichloro-N-(4-methylphenyl)sulfinylanilino)acetic acid

C15H13Cl2NO3S — CID 143624782

IUPAC2-(2,3-dichloro-N-(4-methylphenyl)sulfinylanilino)acetic acid
SMILESCc1ccc(S(=O)N(CC(=O)O)c2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C15H13Cl2NO3S/c1-10-5-7-11(8-6-10)22(21)18(9-14(19)20)13-4-2-3-12(16)15(13)17/h2-8H,9H2,1H3,(H,19,20)
InChIKeyHLINHVMNGJRWDR-UHFFFAOYSA-N
MW358.25 g/mol
LogP3.92
Rot. Bonds5

About 2-(2,3-dichloro-N-(4-methylphenyl)sulfinylanilino)acetic acid

2-(2,3-dichloro-N-(4-methylphenyl)sulfinylanilino)acetic acid (PubChem CID 143624782) has the molecular formula C15H13Cl2NO3S and a molecular weight of 358.25 g/mol. Its IUPAC name is 2-(2,3-dichloro-N-(4-methylphenyl)sulfinylanilino)acetic acid.

Molecular Properties

Compound Name2-(2,3-dichloro-N-(4-methylphenyl)sulfinylanilino)acetic acid
PubChem CID143624782
Molecular FormulaC15H13Cl2NO3S
Molecular Weight358.25 g/mol
Exact Mass357.00
IUPAC Name2-(2,3-dichloro-N-(4-methylphenyl)sulfinylanilino)acetic acid
SMILESCc1ccc(S(=O)N(CC(=O)O)c2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C15H13Cl2NO3S/c1-10-5-7-11(8-6-10)22(21)18(9-14(19)20)13-4-2-3-12(16)15(13)17/h2-8H,9H2,1H3,(H,19,20)
InChIKeyHLINHVMNGJRWDR-UHFFFAOYSA-N
XLogP3.92
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.25
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfinylanilino)-N-[2-(4-methylphenyl)ethyl]acetamide
CID 143624860
2-[N-(carboxymethyl)-3-chloro-2-methylanilino]acetic acid
CID 58135098
2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)acetyl chloride
CID 50892343
2-(N-(4-acetamidophenyl)sulfonyl-2,3-dichloroanilino)acetic acid
CID 50889512
4-[[[2-(3-chloro-2-methyl-N-[4-(trifluoromethyl)phenyl]sulfinylanilino)acetyl]amino]methyl]thiophene-2-carboxylic acid
CID 143624716
2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-phenylethyl]acetamide
CID 2223839
2-[(3-chloro-2-methylphenyl)methyl-methylamino]acetic acid
CID 136560023
3-(2,3-dichloro-N-formylanilino)propanoic acid
CID 20848381
2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-propylacetamide
CID 3598869
2-[(S)-(4-methylphenyl)sulfinyl]acetic acid
CID 54403067
3-(N-butanoyl-2,3-dichloroanilino)propanoic acid
CID 82320766
2-[(2,3-dichlorobenzoyl)-ethylamino]acetic acid
CID 54901309

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichloro-N-(4-methylphenyl)sulfinylanilino)acetic acid?
The IUPAC name of 2-(2,3-dichloro-N-(4-methylphenyl)sulfinylanilino)acetic acid (CID 143624782) is 2-(2,3-dichloro-N-(4-methylphenyl)sulfinylanilino)acetic acid.
What is the SMILES notation for 2-(2,3-dichloro-N-(4-methylphenyl)sulfinylanilino)acetic acid?
The canonical SMILES for 2-(2,3-dichloro-N-(4-methylphenyl)sulfinylanilino)acetic acid is Cc1ccc(S(=O)N(CC(=O)O)c2cccc(Cl)c2Cl)cc1.
What is the InChIKey of 2-(2,3-dichloro-N-(4-methylphenyl)sulfinylanilino)acetic acid?
The InChIKey is HLINHVMNGJRWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO3S/c1-10-5-7-11(8-6-10)22(21)18(9-14(19)20)13-4-2-3-12(16)15(13)17/h2-8H,9H2,1H3,(H,19,20).
What are the key properties of 2-(2,3-dichloro-N-(4-methylphenyl)sulfinylanilino)acetic acid?
2-(2,3-dichloro-N-(4-methylphenyl)sulfinylanilino)acetic acid has a molecular weight of 358.25 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichloro-N-(4-methylphenyl)sulfinylanilino)acetic acid is sourced from PubChem (CID 143624782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).