ethyl N-[4-bromo-5-(ethylsulfonylamino)-2-fluorophenyl]carbamate

C11H14BrFN2O4S — CID 11245619

IUPACethyl N-[4-bromo-5-(ethylsulfonylamino)-2-fluorophenyl]carbamate
SMILESCCOC(=O)Nc1cc(NS(=O)(=O)CC)c(Br)cc1F
InChIInChI=1S/C11H14BrFN2O4S/c1-3-19-11(16)14-10-6-9(7(12)5-8(10)13)15-20(17,18)4-2/h5-6,15H,3-4H2,1-2H3,(H,14,16)
InChIKeyZLELBFJXECHPLL-UHFFFAOYSA-N
MW369.21 g/mol
LogP2.92
Rot. Bonds5

About ethyl N-[4-bromo-5-(ethylsulfonylamino)-2-fluorophenyl]carbamate

ethyl N-[4-bromo-5-(ethylsulfonylamino)-2-fluorophenyl]carbamate (PubChem CID 11245619) has the molecular formula C11H14BrFN2O4S and a molecular weight of 369.21 g/mol. Its IUPAC name is ethyl N-[4-bromo-5-(ethylsulfonylamino)-2-fluorophenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-bromo-5-(ethylsulfonylamino)-2-fluorophenyl]carbamate
PubChem CID11245619
Molecular FormulaC11H14BrFN2O4S
Molecular Weight369.21 g/mol
Exact Mass367.98
IUPAC Nameethyl N-[4-bromo-5-(ethylsulfonylamino)-2-fluorophenyl]carbamate
SMILESCCOC(=O)Nc1cc(NS(=O)(=O)CC)c(Br)cc1F
InChIInChI=1S/C11H14BrFN2O4S/c1-3-19-11(16)14-10-6-9(7(12)5-8(10)13)15-20(17,18)4-2/h5-6,15H,3-4H2,1-2H3,(H,14,16)
InChIKeyZLELBFJXECHPLL-UHFFFAOYSA-N
XLogP2.92
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.21
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-(5-bromo-2,4-difluorophenyl)carbamate
CID 102855180
ethyl 3-[(5-amino-2-bromo-4-fluorophenyl)sulfamoyl]propanoate
CID 91571495
ethyl 3-bromo-4-(ethylsulfonylamino)benzoate
CID 43624445
ethyl N-(4-chloro-2-fluoro-5-sulfanylphenyl)carbamate
CID 139638488
ethyl N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamate
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ethyl N-[2-(4-bromo-2-fluoro-5-methylphenyl)acetyl]carbamate
CID 164544890
ethyl 2-(5-bromo-4-fluoro-2-methylanilino)-2-oxoacetate
CID 107593469
ethyl N-[4-fluoro-3-(methanesulfonamido)phenyl]carbamate
CID 60728396
ethyl 3-(5-bromo-4-fluoro-2-methylanilino)-2-methylpropanoate
CID 107591791
O-ethyl 2-(5-acetamido-2-bromo-4-fluorophenyl)ethanethioate
CID 139689956
ethyl 2-[(2-bromo-4-chlorophenyl)sulfamoyl]acetate
CID 81274474
ethyl N-[4-amino-5-(benzylamino)-2-fluorophenyl]carbamate
CID 134112734

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-bromo-5-(ethylsulfonylamino)-2-fluorophenyl]carbamate?
The IUPAC name of ethyl N-[4-bromo-5-(ethylsulfonylamino)-2-fluorophenyl]carbamate (CID 11245619) is ethyl N-[4-bromo-5-(ethylsulfonylamino)-2-fluorophenyl]carbamate.
What is the SMILES notation for ethyl N-[4-bromo-5-(ethylsulfonylamino)-2-fluorophenyl]carbamate?
The canonical SMILES for ethyl N-[4-bromo-5-(ethylsulfonylamino)-2-fluorophenyl]carbamate is CCOC(=O)Nc1cc(NS(=O)(=O)CC)c(Br)cc1F.
What is the InChIKey of ethyl N-[4-bromo-5-(ethylsulfonylamino)-2-fluorophenyl]carbamate?
The InChIKey is ZLELBFJXECHPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O4S/c1-3-19-11(16)14-10-6-9(7(12)5-8(10)13)15-20(17,18)4-2/h5-6,15H,3-4H2,1-2H3,(H,14,16).
What are the key properties of ethyl N-[4-bromo-5-(ethylsulfonylamino)-2-fluorophenyl]carbamate?
ethyl N-[4-bromo-5-(ethylsulfonylamino)-2-fluorophenyl]carbamate has a molecular weight of 369.21 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-bromo-5-(ethylsulfonylamino)-2-fluorophenyl]carbamate is sourced from PubChem (CID 11245619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).