methyl N-[2-(2,6-dichloro-N-methylsulfonylanilino)ethyl]carbamate

C11H14Cl2N2O4S — CID 113072035

IUPACmethyl N-[2-(2,6-dichloro-N-methylsulfonylanilino)ethyl]carbamate
SMILESCOC(=O)NCCN(c1c(Cl)cccc1Cl)S(C)(=O)=O
InChIInChI=1S/C11H14Cl2N2O4S/c1-19-11(16)14-6-7-15(20(2,17)18)10-8(12)4-3-5-9(10)13/h3-5H,6-7H2,1-2H3,(H,14,16)
InChIKeyWAHPXVQQCROLEZ-UHFFFAOYSA-N
MW341.22 g/mol
LogP2.12
Rot. Bonds5

About methyl N-[2-(2,6-dichloro-N-methylsulfonylanilino)ethyl]carbamate

methyl N-[2-(2,6-dichloro-N-methylsulfonylanilino)ethyl]carbamate (PubChem CID 113072035) has the molecular formula C11H14Cl2N2O4S and a molecular weight of 341.22 g/mol. Its IUPAC name is methyl N-[2-(2,6-dichloro-N-methylsulfonylanilino)ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(2,6-dichloro-N-methylsulfonylanilino)ethyl]carbamate
PubChem CID113072035
Molecular FormulaC11H14Cl2N2O4S
Molecular Weight341.22 g/mol
Exact Mass340.01
IUPAC Namemethyl N-[2-(2,6-dichloro-N-methylsulfonylanilino)ethyl]carbamate
SMILESCOC(=O)NCCN(c1c(Cl)cccc1Cl)S(C)(=O)=O
InChIInChI=1S/C11H14Cl2N2O4S/c1-19-11(16)14-6-7-15(20(2,17)18)10-8(12)4-3-5-9(10)13/h3-5H,6-7H2,1-2H3,(H,14,16)
InChIKeyWAHPXVQQCROLEZ-UHFFFAOYSA-N
XLogP2.12
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.22
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[2-(2-ethyl-6-methyl-N-methylsulfonylanilino)ethyl]carbamate
CID 113069326
tert-butyl N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]carbamate
CID 113070014
3-(2,6-dichloro-N-methylsulfonylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113146588
methyl N-[2-(4-tert-butyl-N-methylsulfonylanilino)ethyl]carbamate
CID 113069636
methyl N-[2-(3-bromo-N-methylsulfonylanilino)ethyl]carbamate
CID 113071573
N-[2-(2,3-dichloro-N-methylsulfonylanilino)ethyl]acetamide
CID 113072046
methyl 4-[2-(methoxycarbonylamino)ethyl-methylsulfonylamino]benzoate
CID 113071235
3-(2,6-dichloro-N-methylsulfonylanilino)-N-pentylpropanamide
CID 113146595
4-chloro-N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113069060
methyl N-[2-[4-(4-methylpiperazin-1-yl)-N-methylsulfonylanilino]ethyl]carbamate
CID 113071434
tert-butyl N-[2-(2,4,6-trimethyl-N-methylsulfonylanilino)ethyl]carbamate
CID 113069490
methyl N-[2-(4-bromo-2-methyl-N-methylsulfonylanilino)ethyl]carbamate
CID 113071605

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(2,6-dichloro-N-methylsulfonylanilino)ethyl]carbamate?
The IUPAC name of methyl N-[2-(2,6-dichloro-N-methylsulfonylanilino)ethyl]carbamate (CID 113072035) is methyl N-[2-(2,6-dichloro-N-methylsulfonylanilino)ethyl]carbamate.
What is the SMILES notation for methyl N-[2-(2,6-dichloro-N-methylsulfonylanilino)ethyl]carbamate?
The canonical SMILES for methyl N-[2-(2,6-dichloro-N-methylsulfonylanilino)ethyl]carbamate is COC(=O)NCCN(c1c(Cl)cccc1Cl)S(C)(=O)=O.
What is the InChIKey of methyl N-[2-(2,6-dichloro-N-methylsulfonylanilino)ethyl]carbamate?
The InChIKey is WAHPXVQQCROLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O4S/c1-19-11(16)14-6-7-15(20(2,17)18)10-8(12)4-3-5-9(10)13/h3-5H,6-7H2,1-2H3,(H,14,16).
What are the key properties of methyl N-[2-(2,6-dichloro-N-methylsulfonylanilino)ethyl]carbamate?
methyl N-[2-(2,6-dichloro-N-methylsulfonylanilino)ethyl]carbamate has a molecular weight of 341.22 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(2,6-dichloro-N-methylsulfonylanilino)ethyl]carbamate is sourced from PubChem (CID 113072035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).