ethyl N-[(2-bromo-5-methoxyphenyl)sulfamoyl]carbamate

C10H13BrN2O5S — CID 114463849

IUPACethyl N-[(2-bromo-5-methoxyphenyl)sulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)Nc1cc(OC)ccc1Br
InChIInChI=1S/C10H13BrN2O5S/c1-3-18-10(14)13-19(15,16)12-9-6-7(17-2)4-5-8(9)11/h4-6,12H,3H2,1-2H3,(H,13,14)
InChIKeyZQGIDXSNYNEFFE-UHFFFAOYSA-N
MW353.19 g/mol
LogP1.86
Rot. Bonds5

About ethyl N-[(2-bromo-5-methoxyphenyl)sulfamoyl]carbamate

ethyl N-[(2-bromo-5-methoxyphenyl)sulfamoyl]carbamate (PubChem CID 114463849) has the molecular formula C10H13BrN2O5S and a molecular weight of 353.19 g/mol. Its IUPAC name is ethyl N-[(2-bromo-5-methoxyphenyl)sulfamoyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(2-bromo-5-methoxyphenyl)sulfamoyl]carbamate
PubChem CID114463849
Molecular FormulaC10H13BrN2O5S
Molecular Weight353.19 g/mol
Exact Mass351.97
IUPAC Nameethyl N-[(2-bromo-5-methoxyphenyl)sulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)Nc1cc(OC)ccc1Br
InChIInChI=1S/C10H13BrN2O5S/c1-3-18-10(14)13-19(15,16)12-9-6-7(17-2)4-5-8(9)11/h4-6,12H,3H2,1-2H3,(H,13,14)
InChIKeyZQGIDXSNYNEFFE-UHFFFAOYSA-N
XLogP1.86
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.19
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 114808853
ethyl N-[(3-bromo-4-pyridinyl)sulfamoyl]carbamate
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ethyl N-[(3-bromo-2-methylphenyl)sulfamoyl]carbamate
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ethyl N-[(3-bromo-4-chlorophenyl)sulfamoyl]carbamate
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ethyl N-[(2-amino-6-bromo-4-methylphenyl)sulfamoyl]carbamate
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ethyl N-[(4-hydroxy-2,5-dimethylphenyl)sulfamoyl]carbamate
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ethyl N-[[5-(aminomethyl)-2-methylphenyl]sulfamoyl]carbamate
CID 114461371
propan-2-yl N-[(2-hydroxy-5-methoxyphenyl)sulfamoyl]carbamate
CID 102696028
3-(ethoxycarbonylsulfamoylamino)-4-hydroxybenzoic acid
CID 107264892
ethyl 2-bromo-5-methoxybenzoate
CID 43389585
N-(2-bromo-5-methoxyphenyl)azepane-1-sulfonamide
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ethyl N-[(6-bromo-2-pyridinyl)sulfamoyl]carbamate
CID 114463790

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(2-bromo-5-methoxyphenyl)sulfamoyl]carbamate?
The IUPAC name of ethyl N-[(2-bromo-5-methoxyphenyl)sulfamoyl]carbamate (CID 114463849) is ethyl N-[(2-bromo-5-methoxyphenyl)sulfamoyl]carbamate.
What is the SMILES notation for ethyl N-[(2-bromo-5-methoxyphenyl)sulfamoyl]carbamate?
The canonical SMILES for ethyl N-[(2-bromo-5-methoxyphenyl)sulfamoyl]carbamate is CCOC(=O)NS(=O)(=O)Nc1cc(OC)ccc1Br.
What is the InChIKey of ethyl N-[(2-bromo-5-methoxyphenyl)sulfamoyl]carbamate?
The InChIKey is ZQGIDXSNYNEFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O5S/c1-3-18-10(14)13-19(15,16)12-9-6-7(17-2)4-5-8(9)11/h4-6,12H,3H2,1-2H3,(H,13,14).
What are the key properties of ethyl N-[(2-bromo-5-methoxyphenyl)sulfamoyl]carbamate?
ethyl N-[(2-bromo-5-methoxyphenyl)sulfamoyl]carbamate has a molecular weight of 353.19 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(2-bromo-5-methoxyphenyl)sulfamoyl]carbamate is sourced from PubChem (CID 114463849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).