2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetic acid

C9H9Cl2NO4S — CID 892423

IUPAC2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetic acid
SMILESCN(CC(=O)O)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C9H9Cl2NO4S/c1-12(5-9(13)14)17(15,16)8-4-6(10)2-3-7(8)11/h2-4H,5H2,1H3,(H,13,14)
InChIKeyZUDGTBXYSAQMJQ-UHFFFAOYSA-N
MW298.15 g/mol
LogP1.70
Rot. Bonds4

About 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetic acid

2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetic acid (PubChem CID 892423) has the molecular formula C9H9Cl2NO4S and a molecular weight of 298.15 g/mol. Its IUPAC name is 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetic acid
PubChem CID892423
Molecular FormulaC9H9Cl2NO4S
Molecular Weight298.15 g/mol
Exact Mass296.96
IUPAC Name2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetic acid
SMILESCN(CC(=O)O)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C9H9Cl2NO4S/c1-12(5-9(13)14)17(15,16)8-4-6(10)2-3-7(8)11/h2-4H,5H2,1H3,(H,13,14)
InChIKeyZUDGTBXYSAQMJQ-UHFFFAOYSA-N
XLogP1.70
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.15
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-Chlorobenzenesulfonamido)acetic acid
CID 2442124
2-[(3-Chlorophenyl)sulfonyl-(3-methoxypropyl)amino]acetic acid
CID 2124611
2-(N-methyl-4-chlorobenzenesulfonamido)acetic acid
CID 362744
2-[N-(prop-2-en-1-yl)4-chlorobenzenesulfonamido]acetic acid
CID 2095452
N-[(2,5-dichlorophenyl)sulfonyl]-N-ethylglycine
CID 1256112
Ethyl 2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetate
CID 3814856
(((4-Chlorophenyl)sulfonyl)(isobutyl)amino)acetic acid
CID 5081152
2-(2-Chlorobenzenesulfonamido)acetic acid
CID 16228307
3-[(2,5-Dichlorophenyl)sulfonylamino]propanoic acid
CID 463644
{Butyl[(4-chlorophenyl)sulfonyl]amino}acetic acid
CID 3702839
Methyl 2-[(3,5-dichlorophenyl)sulfonyl-propan-2-ylamino]acetate
CID 60766960
2-[(2,6-Dichlorophenyl)sulfonyl-propylamino]acetic acid
CID 61007543

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetic acid?
The IUPAC name of 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetic acid (CID 892423) is 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetic acid.
What is the SMILES notation for 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetic acid?
The canonical SMILES for 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetic acid is CN(CC(=O)O)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetic acid?
The InChIKey is ZUDGTBXYSAQMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO4S/c1-12(5-9(13)14)17(15,16)8-4-6(10)2-3-7(8)11/h2-4H,5H2,1H3,(H,13,14).
What are the key properties of 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetic acid?
2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetic acid has a molecular weight of 298.15 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetic acid is sourced from PubChem (CID 892423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).