ethyl N-[(2-amino-6-bromo-4-methylphenyl)sulfamoyl]carbamate

C10H14BrN3O4S — CID 114461807

IUPACethyl N-[(2-amino-6-bromo-4-methylphenyl)sulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)Nc1c(N)cc(C)cc1Br
InChIInChI=1S/C10H14BrN3O4S/c1-3-18-10(15)14-19(16,17)13-9-7(11)4-6(2)5-8(9)12/h4-5,13H,3,12H2,1-2H3,(H,14,15)
InChIKeySEFNFIDLBKMPEH-UHFFFAOYSA-N
MW352.21 g/mol
LogP1.74
Rot. Bonds4

About ethyl N-[(2-amino-6-bromo-4-methylphenyl)sulfamoyl]carbamate

ethyl N-[(2-amino-6-bromo-4-methylphenyl)sulfamoyl]carbamate (PubChem CID 114461807) has the molecular formula C10H14BrN3O4S and a molecular weight of 352.21 g/mol. Its IUPAC name is ethyl N-[(2-amino-6-bromo-4-methylphenyl)sulfamoyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(2-amino-6-bromo-4-methylphenyl)sulfamoyl]carbamate
PubChem CID114461807
Molecular FormulaC10H14BrN3O4S
Molecular Weight352.21 g/mol
Exact Mass350.99
IUPAC Nameethyl N-[(2-amino-6-bromo-4-methylphenyl)sulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)Nc1c(N)cc(C)cc1Br
InChIInChI=1S/C10H14BrN3O4S/c1-3-18-10(15)14-19(16,17)13-9-7(11)4-6(2)5-8(9)12/h4-5,13H,3,12H2,1-2H3,(H,14,15)
InChIKeySEFNFIDLBKMPEH-UHFFFAOYSA-N
XLogP1.74
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.21
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-bromo-2-N-(ethylsulfamoyl)-5-methylbenzene-1,2-diamine
CID 114804993
ethyl N-(2,6-dibromo-4-methylphenyl)carbamate
CID 60651437
ethyl N-[(3-bromo-4-chlorophenyl)sulfamoyl]carbamate
CID 114463867
ethyl N-[(3-bromo-2-methylphenyl)sulfamoyl]carbamate
CID 107640756
ethyl N-[(2-bromo-5-methoxyphenyl)sulfamoyl]carbamate
CID 114463849
ethyl N-[(4-hydroxy-2,5-dimethylphenyl)sulfamoyl]carbamate
CID 106954598
ethyl N-[[3-(3-aminoprop-1-ynyl)-5-methylphenyl]sulfamoyl]carbamate
CID 107579336
ethyl N-[(3-bromo-4-pyridinyl)sulfamoyl]carbamate
CID 114463883
ethyl N-[(6-bromo-2-pyridinyl)sulfamoyl]carbamate
CID 114463790
ethyl N-[(4-amino-2-bromophenyl)-ethylidene-oxo-λ6-sulfanyl]carbamate
CID 91594924
ethyl N-[(5-amino-2-pyridinyl)sulfamoyl]carbamate
CID 114461535
ethyl 2-[(4-amino-2,6-dibromophenyl)sulfamoyl]acetate
CID 61457058

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(2-amino-6-bromo-4-methylphenyl)sulfamoyl]carbamate?
The IUPAC name of ethyl N-[(2-amino-6-bromo-4-methylphenyl)sulfamoyl]carbamate (CID 114461807) is ethyl N-[(2-amino-6-bromo-4-methylphenyl)sulfamoyl]carbamate.
What is the SMILES notation for ethyl N-[(2-amino-6-bromo-4-methylphenyl)sulfamoyl]carbamate?
The canonical SMILES for ethyl N-[(2-amino-6-bromo-4-methylphenyl)sulfamoyl]carbamate is CCOC(=O)NS(=O)(=O)Nc1c(N)cc(C)cc1Br.
What is the InChIKey of ethyl N-[(2-amino-6-bromo-4-methylphenyl)sulfamoyl]carbamate?
The InChIKey is SEFNFIDLBKMPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O4S/c1-3-18-10(15)14-19(16,17)13-9-7(11)4-6(2)5-8(9)12/h4-5,13H,3,12H2,1-2H3,(H,14,15).
What are the key properties of ethyl N-[(2-amino-6-bromo-4-methylphenyl)sulfamoyl]carbamate?
ethyl N-[(2-amino-6-bromo-4-methylphenyl)sulfamoyl]carbamate has a molecular weight of 352.21 g/mol, XLogP of 1.74, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(2-amino-6-bromo-4-methylphenyl)sulfamoyl]carbamate is sourced from PubChem (CID 114461807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).