methyl N-[(4-bromo-3-chlorophenyl)sulfamoyl]carbamate

C8H8BrClN2O4S — CID 107612728

IUPACmethyl N-[(4-bromo-3-chlorophenyl)sulfamoyl]carbamate
SMILESCOC(=O)NS(=O)(=O)Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C8H8BrClN2O4S/c1-16-8(13)12-17(14,15)11-5-2-3-6(9)7(10)4-5/h2-4,11H,1H3,(H,12,13)
InChIKeyJUOCFCAOLXACML-UHFFFAOYSA-N
MW343.59 g/mol
LogP2.12
Rot. Bonds3

About methyl N-[(4-bromo-3-chlorophenyl)sulfamoyl]carbamate

methyl N-[(4-bromo-3-chlorophenyl)sulfamoyl]carbamate (PubChem CID 107612728) has the molecular formula C8H8BrClN2O4S and a molecular weight of 343.59 g/mol. Its IUPAC name is methyl N-[(4-bromo-3-chlorophenyl)sulfamoyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(4-bromo-3-chlorophenyl)sulfamoyl]carbamate
PubChem CID107612728
Molecular FormulaC8H8BrClN2O4S
Molecular Weight343.59 g/mol
Exact Mass341.91
IUPAC Namemethyl N-[(4-bromo-3-chlorophenyl)sulfamoyl]carbamate
SMILESCOC(=O)NS(=O)(=O)Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C8H8BrClN2O4S/c1-16-8(13)12-17(14,15)11-5-2-3-6(9)7(10)4-5/h2-4,11H,1H3,(H,12,13)
InChIKeyJUOCFCAOLXACML-UHFFFAOYSA-N
XLogP2.12
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.59
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl N-[(4-bromo-3-chlorophenyl)sulfamoyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl N-[(3-bromo-4-chlorophenyl)sulfamoyl]carbamate
CID 114463867
methyl N-[[4-(chloromethyl)phenyl]sulfamoyl]carbamate
CID 114466361
methyl N-[(3-sulfamoylphenyl)sulfamoyl]carbamate
CID 113343903
methyl N-[(4-acetylphenyl)sulfamoyl]carbamate
CID 115872551
methyl N-[(3-carbamothioyl-4-fluorophenyl)sulfamoyl]carbamate
CID 114463601
methyl N-[(2,6-dichloro-4-sulfamoylphenyl)sulfamoyl]carbamate
CID 114466073
4-(1-aminoethyl)-N-(4-bromo-3-chlorophenyl)benzenesulfonamide
CID 107613406
4-bromo-N-(4-bromo-3-chlorophenyl)benzenesulfonamide
CID 19683886
methyl N-[[3-(aminomethyl)-4-ethoxyphenyl]sulfamoyl]carbamate
CID 114467010
(E)-3-[2-fluoro-5-(methoxycarbonylsulfamoylamino)phenyl]prop-2-enoic acid
CID 114466175
methyl N-[[4-(3-aminoprop-1-ynyl)-3-methylphenyl]sulfamoyl]carbamate
CID 114465787
5-bromo-N-(4-bromo-3-chlorophenyl)-4-methylthiophene-2-sulfonamide
CID 107612767

Frequently Asked Questions

What is the IUPAC name of methyl N-[(4-bromo-3-chlorophenyl)sulfamoyl]carbamate?
The IUPAC name of methyl N-[(4-bromo-3-chlorophenyl)sulfamoyl]carbamate (CID 107612728) is methyl N-[(4-bromo-3-chlorophenyl)sulfamoyl]carbamate.
What is the SMILES notation for methyl N-[(4-bromo-3-chlorophenyl)sulfamoyl]carbamate?
The canonical SMILES for methyl N-[(4-bromo-3-chlorophenyl)sulfamoyl]carbamate is COC(=O)NS(=O)(=O)Nc1ccc(Br)c(Cl)c1.
What is the InChIKey of methyl N-[(4-bromo-3-chlorophenyl)sulfamoyl]carbamate?
The InChIKey is JUOCFCAOLXACML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClN2O4S/c1-16-8(13)12-17(14,15)11-5-2-3-6(9)7(10)4-5/h2-4,11H,1H3,(H,12,13).
What are the key properties of methyl N-[(4-bromo-3-chlorophenyl)sulfamoyl]carbamate?
methyl N-[(4-bromo-3-chlorophenyl)sulfamoyl]carbamate has a molecular weight of 343.59 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(4-bromo-3-chlorophenyl)sulfamoyl]carbamate is sourced from PubChem (CID 107612728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).