(2,4-dichlorophenyl) 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate

C13H11Cl2NO4S2 — CID 16560681

IUPAC(2,4-dichlorophenyl) 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
SMILESCN(CC(=O)Oc1ccc(Cl)cc1Cl)S(=O)(=O)c1cccs1
InChIInChI=1S/C13H11Cl2NO4S2/c1-16(22(18,19)13-3-2-6-21-13)8-12(17)20-11-5-4-9(14)7-10(11)15/h2-7H,8H2,1H3
InChIKeyDQGPIOIFWAKHAG-UHFFFAOYSA-N
MW380.27 g/mol
LogP3.28
Rot. Bonds5

About (2,4-dichlorophenyl) 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate

(2,4-dichlorophenyl) 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate (PubChem CID 16560681) has the molecular formula C13H11Cl2NO4S2 and a molecular weight of 380.27 g/mol. Its IUPAC name is (2,4-dichlorophenyl) 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate.

Molecular Properties

Compound Name(2,4-dichlorophenyl) 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
PubChem CID16560681
Molecular FormulaC13H11Cl2NO4S2
Molecular Weight380.27 g/mol
Exact Mass378.95
IUPAC Name(2,4-dichlorophenyl) 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
SMILESCN(CC(=O)Oc1ccc(Cl)cc1Cl)S(=O)(=O)c1cccs1
InChIInChI=1S/C13H11Cl2NO4S2/c1-16(22(18,19)13-3-2-6-21-13)8-12(17)20-11-5-4-9(14)7-10(11)15/h2-7H,8H2,1H3
InChIKeyDQGPIOIFWAKHAG-UHFFFAOYSA-N
XLogP3.28
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.27
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2,4-dichlorophenyl) 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetate
CID 18287790
methyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 3312195
naphthalen-1-yl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 16560682
N-(2,5-dichlorophenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 30268370
ethyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 55028782
methyl 2-(5-chloro-2-methoxy-N-thiophen-2-ylsulfonylanilino)acetate
CID 100549387
benzyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 23851783
N-[(3,5-dichloro-2-pyridinyl)methyl]-N-methylthiophene-2-sulfonamide
CID 84596338
(2-chlorophenyl) 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetate
CID 18227111
N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide
CID 17485175
N-[2-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide
CID 55589821
ethyl 2-(4-chloro-2-methyl-N-thiophen-2-ylsulfonylanilino)acetate
CID 100549552

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl) 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate?
The IUPAC name of (2,4-dichlorophenyl) 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate (CID 16560681) is (2,4-dichlorophenyl) 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate.
What is the SMILES notation for (2,4-dichlorophenyl) 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate?
The canonical SMILES for (2,4-dichlorophenyl) 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate is CN(CC(=O)Oc1ccc(Cl)cc1Cl)S(=O)(=O)c1cccs1.
What is the InChIKey of (2,4-dichlorophenyl) 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate?
The InChIKey is DQGPIOIFWAKHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO4S2/c1-16(22(18,19)13-3-2-6-21-13)8-12(17)20-11-5-4-9(14)7-10(11)15/h2-7H,8H2,1H3.
What are the key properties of (2,4-dichlorophenyl) 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate?
(2,4-dichlorophenyl) 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate has a molecular weight of 380.27 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl) 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate is sourced from PubChem (CID 16560681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).