[2-(N-methylanilino)-2-oxoethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate

C17H16Cl2N2O5S — CID 46794889

IUPAC[2-(N-methylanilino)-2-oxoethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate
SMILESCN(C(=O)COC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C17H16Cl2N2O5S/c1-21(12-5-3-2-4-6-12)16(22)11-26-17(23)10-20-27(24,25)13-7-8-14(18)15(19)9-13/h2-9,20H,10-11H2,1H3
InChIKeyQAVUZJBADPWIFD-UHFFFAOYSA-N
MW431.30 g/mol
LogP2.48
Rot. Bonds7

About [2-(N-methylanilino)-2-oxoethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate

[2-(N-methylanilino)-2-oxoethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate (PubChem CID 46794889) has the molecular formula C17H16Cl2N2O5S and a molecular weight of 431.30 g/mol. Its IUPAC name is [2-(N-methylanilino)-2-oxoethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[2-(N-methylanilino)-2-oxoethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate
PubChem CID46794889
Molecular FormulaC17H16Cl2N2O5S
Molecular Weight431.30 g/mol
Exact Mass430.02
IUPAC Name[2-(N-methylanilino)-2-oxoethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate
SMILESCN(C(=O)COC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C17H16Cl2N2O5S/c1-21(12-5-3-2-4-6-12)16(22)11-26-17(23)10-20-27(24,25)13-7-8-14(18)15(19)9-13/h2-9,20H,10-11H2,1H3
InChIKeyQAVUZJBADPWIFD-UHFFFAOYSA-N
XLogP2.48
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.30
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(N-methylanilino)-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate
CID 7653528
[2-(4-chloroanilino)-2-oxoethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate
CID 35986124
[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate
CID 2499614
(1-amino-1-oxopropan-2-yl) 2-[(3,4-dichlorophenyl)sulfonylamino]acetate
CID 46794901
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-ethyl-N-phenylacetamide
CID 112996961
[2-(N-ethylanilino)-2-oxoethyl] 2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetate
CID 42975484
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate
CID 33296744
(4-bromophenyl)methyl 2-[(3,4-dichlorophenyl)sulfonylamino]acetate
CID 1218601
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate
CID 18277091
[2-(dimethylamino)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate
CID 7826725
methyl 2-(N-(3,4-dichlorophenyl)sulfonylanilino)acetate
CID 50889553
[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 7234504

Frequently Asked Questions

What is the IUPAC name of [2-(N-methylanilino)-2-oxoethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate?
The IUPAC name of [2-(N-methylanilino)-2-oxoethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate (CID 46794889) is [2-(N-methylanilino)-2-oxoethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate.
What is the SMILES notation for [2-(N-methylanilino)-2-oxoethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate?
The canonical SMILES for [2-(N-methylanilino)-2-oxoethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate is CN(C(=O)COC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1.
What is the InChIKey of [2-(N-methylanilino)-2-oxoethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate?
The InChIKey is QAVUZJBADPWIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O5S/c1-21(12-5-3-2-4-6-12)16(22)11-26-17(23)10-20-27(24,25)13-7-8-14(18)15(19)9-13/h2-9,20H,10-11H2,1H3.
What are the key properties of [2-(N-methylanilino)-2-oxoethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate?
[2-(N-methylanilino)-2-oxoethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate has a molecular weight of 431.30 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-methylanilino)-2-oxoethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate is sourced from PubChem (CID 46794889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).