methyl 2-[(4-bromophenyl)sulfonylamino]acetate

C9H10BrNO4S — CID 669307

IUPACmethyl 2-[(4-bromophenyl)sulfonylamino]acetate
SMILESCOC(=O)CNS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C9H10BrNO4S/c1-15-9(12)6-11-16(13,14)8-4-2-7(10)3-5-8/h2-5,11H,6H2,1H3
InChIKeyRKMMKFPYCKUIAN-UHFFFAOYSA-N
MW308.15 g/mol
LogP0.90
Rot. Bonds4

About methyl 2-[(4-bromophenyl)sulfonylamino]acetate

methyl 2-[(4-bromophenyl)sulfonylamino]acetate (PubChem CID 669307) has the molecular formula C9H10BrNO4S and a molecular weight of 308.15 g/mol. Its IUPAC name is methyl 2-[(4-bromophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-bromophenyl)sulfonylamino]acetate
PubChem CID669307
Molecular FormulaC9H10BrNO4S
Molecular Weight308.15 g/mol
Exact Mass306.95
IUPAC Namemethyl 2-[(4-bromophenyl)sulfonylamino]acetate
SMILESCOC(=O)CNS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C9H10BrNO4S/c1-15-9(12)6-11-16(13,14)8-4-2-7(10)3-5-8/h2-5,11H,6H2,1H3
InChIKeyRKMMKFPYCKUIAN-UHFFFAOYSA-N
XLogP0.90
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.15
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[4-(methylsulfamoyl)phenyl]sulfonylamino]acetate
CID 43423382
4-bromo-N-(3-methyl-2-oxobutyl)benzenesulfonamide
CID 64996479
methyl 2-[(2,5-dibromophenyl)sulfonylamino]acetate
CID 43404988
4-bromo-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114616540
methyl 2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfonylamino]acetate
CID 8841355
methyl 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate
CID 3747735
methyl 2-bromo-3-[(4-bromophenyl)sulfonylamino]propanoate
CID 103493729
N-(4-acetamidophenyl)-2-[(4-bromophenyl)sulfonylamino]acetamide
CID 1316272
2-[(4-bromophenyl)sulfonylamino]-N-(2-methylpropyl)acetamide
CID 112990736
methyl 2-[(3,5-dichlorophenyl)sulfonylamino]acetate
CID 43404992
methyl 2-[(4-amino-3-fluorophenyl)sulfonylamino]acetate
CID 82844762
4-bromo-N-(3-methoxypropyl)benzenesulfonamide
CID 4619228

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-bromophenyl)sulfonylamino]acetate?
The IUPAC name of methyl 2-[(4-bromophenyl)sulfonylamino]acetate (CID 669307) is methyl 2-[(4-bromophenyl)sulfonylamino]acetate.
What is the SMILES notation for methyl 2-[(4-bromophenyl)sulfonylamino]acetate?
The canonical SMILES for methyl 2-[(4-bromophenyl)sulfonylamino]acetate is COC(=O)CNS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of methyl 2-[(4-bromophenyl)sulfonylamino]acetate?
The InChIKey is RKMMKFPYCKUIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO4S/c1-15-9(12)6-11-16(13,14)8-4-2-7(10)3-5-8/h2-5,11H,6H2,1H3.
What are the key properties of methyl 2-[(4-bromophenyl)sulfonylamino]acetate?
methyl 2-[(4-bromophenyl)sulfonylamino]acetate has a molecular weight of 308.15 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-bromophenyl)sulfonylamino]acetate is sourced from PubChem (CID 669307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).