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

C10H12BrNO4S — CID 3118650

IUPACethyl 2-[(4-bromophenyl)sulfonylamino]acetate
SMILESCCOC(=O)CNS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C10H12BrNO4S/c1-2-16-10(13)7-12-17(14,15)9-5-3-8(11)4-6-9/h3-6,12H,2,7H2,1H3
InChIKeyGABXXOTZSYYNNI-UHFFFAOYSA-N
MW322.18 g/mol
LogP1.29
Rot. Bonds5

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

ethyl 2-[(4-bromophenyl)sulfonylamino]acetate (PubChem CID 3118650) has the molecular formula C10H12BrNO4S and a molecular weight of 322.18 g/mol. Its IUPAC name is ethyl 2-[(4-bromophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-bromophenyl)sulfonylamino]acetate
PubChem CID3118650
Molecular FormulaC10H12BrNO4S
Molecular Weight322.18 g/mol
Exact Mass320.97
IUPAC Nameethyl 2-[(4-bromophenyl)sulfonylamino]acetate
SMILESCCOC(=O)CNS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C10H12BrNO4S/c1-2-16-10(13)7-12-17(14,15)9-5-3-8(11)4-6-9/h3-6,12H,2,7H2,1H3
InChIKeyGABXXOTZSYYNNI-UHFFFAOYSA-N
XLogP1.29
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 ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-bromophenyl)sulfonylamino]acetate?
The IUPAC name of ethyl 2-[(4-bromophenyl)sulfonylamino]acetate (CID 3118650) is ethyl 2-[(4-bromophenyl)sulfonylamino]acetate.
What is the SMILES notation for ethyl 2-[(4-bromophenyl)sulfonylamino]acetate?
The canonical SMILES for ethyl 2-[(4-bromophenyl)sulfonylamino]acetate is CCOC(=O)CNS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of ethyl 2-[(4-bromophenyl)sulfonylamino]acetate?
The InChIKey is GABXXOTZSYYNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO4S/c1-2-16-10(13)7-12-17(14,15)9-5-3-8(11)4-6-9/h3-6,12H,2,7H2,1H3.
What are the key properties of ethyl 2-[(4-bromophenyl)sulfonylamino]acetate?
ethyl 2-[(4-bromophenyl)sulfonylamino]acetate has a molecular weight of 322.18 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-bromophenyl)sulfonylamino]acetate is sourced from PubChem (CID 3118650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).