methyl 2-[(2-bromophenyl)methylsulfamoyl]acetate

C10H12BrNO4S — CID 61414007

IUPACmethyl 2-[(2-bromophenyl)methylsulfamoyl]acetate
SMILESCOC(=O)CS(=O)(=O)NCc1ccccc1Br
InChIInChI=1S/C10H12BrNO4S/c1-16-10(13)7-17(14,15)12-6-8-4-2-3-5-9(8)11/h2-5,12H,6-7H2,1H3
InChIKeyWCFCXLFKAYWWHJ-UHFFFAOYSA-N
MW322.18 g/mol
LogP1.04
Rot. Bonds5

About methyl 2-[(2-bromophenyl)methylsulfamoyl]acetate

methyl 2-[(2-bromophenyl)methylsulfamoyl]acetate (PubChem CID 61414007) has the molecular formula C10H12BrNO4S and a molecular weight of 322.18 g/mol. Its IUPAC name is methyl 2-[(2-bromophenyl)methylsulfamoyl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-bromophenyl)methylsulfamoyl]acetate
PubChem CID61414007
Molecular FormulaC10H12BrNO4S
Molecular Weight322.18 g/mol
Exact Mass320.97
IUPAC Namemethyl 2-[(2-bromophenyl)methylsulfamoyl]acetate
SMILESCOC(=O)CS(=O)(=O)NCc1ccccc1Br
InChIInChI=1S/C10H12BrNO4S/c1-16-10(13)7-17(14,15)12-6-8-4-2-3-5-9(8)11/h2-5,12H,6-7H2,1H3
InChIKeyWCFCXLFKAYWWHJ-UHFFFAOYSA-N
XLogP1.04
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.18
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[(2-bromophenyl)methylsulfamoyl]acetate 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

methyl 4-[(2-bromophenyl)methylsulfamoyl]butanoate
CID 61457372
methyl 2-[(2-bromophenyl)methylsulfonyl]acetate
CID 15626801
methyl 2-(benzylsulfamoyl)acetate
CID 130159397
methyl 2-[(3-bromothiophen-2-yl)methylsulfamoyl]acetate
CID 78996186
N-[(2-bromophenyl)methyl]-2-(ethylamino)ethanesulfonamide
CID 54972142
methyl 2-(2-phenylethylsulfamoyl)acetate
CID 121221492
propan-2-yl N-[(2-bromophenyl)methylsulfamoyl]carbamate
CID 114463811
2-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide
CID 25146907
methyl 2-(1H-benzimidazol-2-ylmethylsulfamoyl)acetate
CID 78991650
methyl 6-(2-bromophenyl)-4-oxohexanoate
CID 63899687
methyl 2-[5-[[(2-bromophenyl)methylamino]methyl]thiophen-2-yl]acetate
CID 82894798
(3S)-3-[(2-bromophenyl)methylamino]-5-methoxy-5-oxopentanoic acid
CID 46896557

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-bromophenyl)methylsulfamoyl]acetate?
The IUPAC name of methyl 2-[(2-bromophenyl)methylsulfamoyl]acetate (CID 61414007) is methyl 2-[(2-bromophenyl)methylsulfamoyl]acetate.
What is the SMILES notation for methyl 2-[(2-bromophenyl)methylsulfamoyl]acetate?
The canonical SMILES for methyl 2-[(2-bromophenyl)methylsulfamoyl]acetate is COC(=O)CS(=O)(=O)NCc1ccccc1Br.
What is the InChIKey of methyl 2-[(2-bromophenyl)methylsulfamoyl]acetate?
The InChIKey is WCFCXLFKAYWWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO4S/c1-16-10(13)7-17(14,15)12-6-8-4-2-3-5-9(8)11/h2-5,12H,6-7H2,1H3.
What are the key properties of methyl 2-[(2-bromophenyl)methylsulfamoyl]acetate?
methyl 2-[(2-bromophenyl)methylsulfamoyl]acetate has a molecular weight of 322.18 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-bromophenyl)methylsulfamoyl]acetate is sourced from PubChem (CID 61414007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).