ethyl N-[(3-bromo-2-methylphenyl)sulfamoyl]carbamate

C10H13BrN2O4S — CID 107640756

IUPACethyl N-[(3-bromo-2-methylphenyl)sulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)Nc1cccc(Br)c1C
InChIInChI=1S/C10H13BrN2O4S/c1-3-17-10(14)13-18(15,16)12-9-6-4-5-8(11)7(9)2/h4-6,12H,3H2,1-2H3,(H,13,14)
InChIKeyRGYAZOMHLZFNTK-UHFFFAOYSA-N
MW337.20 g/mol
LogP2.16
Rot. Bonds4

About ethyl N-[(3-bromo-2-methylphenyl)sulfamoyl]carbamate

ethyl N-[(3-bromo-2-methylphenyl)sulfamoyl]carbamate (PubChem CID 107640756) has the molecular formula C10H13BrN2O4S and a molecular weight of 337.20 g/mol. Its IUPAC name is ethyl N-[(3-bromo-2-methylphenyl)sulfamoyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(3-bromo-2-methylphenyl)sulfamoyl]carbamate
PubChem CID107640756
Molecular FormulaC10H13BrN2O4S
Molecular Weight337.20 g/mol
Exact Mass335.98
IUPAC Nameethyl N-[(3-bromo-2-methylphenyl)sulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)Nc1cccc(Br)c1C
InChIInChI=1S/C10H13BrN2O4S/c1-3-17-10(14)13-18(15,16)12-9-6-4-5-8(11)7(9)2/h4-6,12H,3H2,1-2H3,(H,13,14)
InChIKeyRGYAZOMHLZFNTK-UHFFFAOYSA-N
XLogP2.16
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.20
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(3-bromo-2-methylphenyl)sulfamoyl]acetate
CID 107640763
ethyl N-[(3-bromo-4-pyridinyl)sulfamoyl]carbamate
CID 114463883
methyl N-[(2-methyl-3-sulfamoylphenyl)sulfamoyl]carbamate
CID 114465998
ethyl N-[(2-bromo-5-methoxyphenyl)sulfamoyl]carbamate
CID 114463849
ethyl N-[(6-bromo-2-pyridinyl)sulfamoyl]carbamate
CID 114463790
ethyl N-[(2-carbamimidoyl-3-fluorophenyl)sulfamoyl]carbamate
CID 114467334
ethyl N-[[2-[1-(ethylamino)ethyl]phenyl]sulfamoyl]carbamate
CID 114463183
ethyl N-[(3-bromo-4-chlorophenyl)sulfamoyl]carbamate
CID 114463867
3-bromo-2-methyl-N-(2-methylpropylsulfamoyl)aniline
CID 107640767
ethyl N-[(2-amino-6-bromo-4-methylphenyl)sulfamoyl]carbamate
CID 114461807
ethyl 2-(3-bromo-2-methylanilino)butanoate
CID 107633694
ethyl N-[(4-hydroxy-2,5-dimethylphenyl)sulfamoyl]carbamate
CID 106954598

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(3-bromo-2-methylphenyl)sulfamoyl]carbamate?
The IUPAC name of ethyl N-[(3-bromo-2-methylphenyl)sulfamoyl]carbamate (CID 107640756) is ethyl N-[(3-bromo-2-methylphenyl)sulfamoyl]carbamate.
What is the SMILES notation for ethyl N-[(3-bromo-2-methylphenyl)sulfamoyl]carbamate?
The canonical SMILES for ethyl N-[(3-bromo-2-methylphenyl)sulfamoyl]carbamate is CCOC(=O)NS(=O)(=O)Nc1cccc(Br)c1C.
What is the InChIKey of ethyl N-[(3-bromo-2-methylphenyl)sulfamoyl]carbamate?
The InChIKey is RGYAZOMHLZFNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O4S/c1-3-17-10(14)13-18(15,16)12-9-6-4-5-8(11)7(9)2/h4-6,12H,3H2,1-2H3,(H,13,14).
What are the key properties of ethyl N-[(3-bromo-2-methylphenyl)sulfamoyl]carbamate?
ethyl N-[(3-bromo-2-methylphenyl)sulfamoyl]carbamate has a molecular weight of 337.20 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(3-bromo-2-methylphenyl)sulfamoyl]carbamate is sourced from PubChem (CID 107640756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).