2-[N-(benzenesulfonyl)-2,5-dichloroanilino]acetate

C14H10Cl2NO4S- — CID 8705400

IUPAC2-[N-(benzenesulfonyl)-2,5-dichloroanilino]acetate
SMILESO=C([O-])CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H11Cl2NO4S/c15-10-6-7-12(16)13(8-10)17(9-14(18)19)22(20,21)11-4-2-1-3-5-11/h1-8H,9H2,(H,18,19)/p-1
InChIKeyIFOOFHFEADLBMC-UHFFFAOYSA-M
MW359.21 g/mol
LogP1.94
Rot. Bonds5

About 2-[N-(benzenesulfonyl)-2,5-dichloroanilino]acetate

2-[N-(benzenesulfonyl)-2,5-dichloroanilino]acetate (PubChem CID 8705400) has the molecular formula C14H10Cl2NO4S- and a molecular weight of 359.21 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2,5-dichloroanilino]acetate.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2,5-dichloroanilino]acetate
PubChem CID8705400
Molecular FormulaC14H10Cl2NO4S-
Molecular Weight359.21 g/mol
Exact Mass357.97
IUPAC Name2-[N-(benzenesulfonyl)-2,5-dichloroanilino]acetate
SMILESO=C([O-])CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H11Cl2NO4S/c15-10-6-7-12(16)13(8-10)17(9-14(18)19)22(20,21)11-4-2-1-3-5-11/h1-8H,9H2,(H,18,19)/p-1
InChIKeyIFOOFHFEADLBMC-UHFFFAOYSA-M
XLogP1.94
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.21
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]acetate
CID 7454068
2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-ethylacetamide
CID 2221414
2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-pentylacetamide
CID 126415552
2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-(2-methylsulfanylphenyl)acetamide
CID 5203198
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]acetic acid
CID 872896
3,4-dichloro-N-(2,5-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
CID 50892625
2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]acetamide
CID 4210454
N-(2,5-dichlorophenyl)-N-[3-(dimethylamino)-2-hydroxypropyl]benzenesulfonamide
CID 3806054
2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 2978659
3-(2,5-dichloro-N-(4-methylphenyl)sulfonylanilino)propanoic acid
CID 50892666
2-[N-(benzenesulfonyl)-2,4,5-trichloroanilino]acetamide
CID 50895400
(2R)-2-[[2-[N-(benzenesulfonyl)-2,5-dichloroanilino]acetyl]-benzylamino]-N-methylpropanamide
CID 100566439

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2,5-dichloroanilino]acetate?
The IUPAC name of 2-[N-(benzenesulfonyl)-2,5-dichloroanilino]acetate (CID 8705400) is 2-[N-(benzenesulfonyl)-2,5-dichloroanilino]acetate.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2,5-dichloroanilino]acetate?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2,5-dichloroanilino]acetate is O=C([O-])CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2,5-dichloroanilino]acetate?
The InChIKey is IFOOFHFEADLBMC-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H11Cl2NO4S/c15-10-6-7-12(16)13(8-10)17(9-14(18)19)22(20,21)11-4-2-1-3-5-11/h1-8H,9H2,(H,18,19)/p-1.
What are the key properties of 2-[N-(benzenesulfonyl)-2,5-dichloroanilino]acetate?
2-[N-(benzenesulfonyl)-2,5-dichloroanilino]acetate has a molecular weight of 359.21 g/mol, XLogP of 1.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2,5-dichloroanilino]acetate is sourced from PubChem (CID 8705400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).