2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]acetic acid

C15H12Cl3NO4S — CID 4075266

IUPAC2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]acetic acid
SMILESO=C(O)CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H12Cl3NO4S/c16-11-2-4-12(5-3-11)24(22,23)19(9-15(20)21)8-10-1-6-13(17)14(18)7-10/h1-7H,8-9H2,(H,20,21)
InChIKeyCUSCLNWUTIFMGT-UHFFFAOYSA-N
MW408.69 g/mol
LogP3.92
Rot. Bonds6

About 2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]acetic acid

2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]acetic acid (PubChem CID 4075266) has the molecular formula C15H12Cl3NO4S and a molecular weight of 408.69 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]acetic acid
PubChem CID4075266
Molecular FormulaC15H12Cl3NO4S
Molecular Weight408.69 g/mol
Exact Mass406.96
IUPAC Name2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]acetic acid
SMILESO=C(O)CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H12Cl3NO4S/c16-11-2-4-12(5-3-11)24(22,23)19(9-15(20)21)8-10-1-6-13(17)14(18)7-10/h1-7H,8-9H2,(H,20,21)
InChIKeyCUSCLNWUTIFMGT-UHFFFAOYSA-N
XLogP3.92
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.69
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]acetic acid
CID 3926551
4-chloro-N-[(3,4-dichlorophenyl)methyl]-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 2925027
N-[(2S)-butan-2-yl]-2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]acetamide
CID 126012789
2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 126081065
2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 126011388
2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 126010565
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 94861179
N-(5-chloro-2-phenoxyphenyl)-2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]acetamide
CID 21380449
2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
CID 100790560
2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-(5-fluoro-2-methylphenyl)acetamide
CID 28543814
2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[(Z)-(4-ethylphenyl)methylideneamino]acetamide
CID 126123534
2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 126095868

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]acetic acid?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]acetic acid (CID 4075266) is 2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]acetic acid?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]acetic acid is O=C(O)CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]acetic acid?
The InChIKey is CUSCLNWUTIFMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl3NO4S/c16-11-2-4-12(5-3-11)24(22,23)19(9-15(20)21)8-10-1-6-13(17)14(18)7-10/h1-7H,8-9H2,(H,20,21).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]acetic acid?
2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]acetic acid has a molecular weight of 408.69 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]acetic acid is sourced from PubChem (CID 4075266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).