(4-bromophenyl)methyl 2-[(3,4-dichlorophenyl)sulfonylamino]acetate

C15H12BrCl2NO4S — CID 1218601

IUPAC(4-bromophenyl)methyl 2-[(3,4-dichlorophenyl)sulfonylamino]acetate
SMILESO=C(CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)OCc1ccc(Br)cc1
InChIInChI=1S/C15H12BrCl2NO4S/c16-11-3-1-10(2-4-11)9-23-15(20)8-19-24(21,22)12-5-6-13(17)14(18)7-12/h1-7,19H,8-9H2
InChIKeyCDXPVXMZKPTTMX-UHFFFAOYSA-N
MW453.14 g/mol
LogP3.78
Rot. Bonds6

About (4-bromophenyl)methyl 2-[(3,4-dichlorophenyl)sulfonylamino]acetate

(4-bromophenyl)methyl 2-[(3,4-dichlorophenyl)sulfonylamino]acetate (PubChem CID 1218601) has the molecular formula C15H12BrCl2NO4S and a molecular weight of 453.14 g/mol. Its IUPAC name is (4-bromophenyl)methyl 2-[(3,4-dichlorophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name(4-bromophenyl)methyl 2-[(3,4-dichlorophenyl)sulfonylamino]acetate
PubChem CID1218601
Molecular FormulaC15H12BrCl2NO4S
Molecular Weight453.14 g/mol
Exact Mass450.90
IUPAC Name(4-bromophenyl)methyl 2-[(3,4-dichlorophenyl)sulfonylamino]acetate
SMILESO=C(CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)OCc1ccc(Br)cc1
InChIInChI=1S/C15H12BrCl2NO4S/c16-11-3-1-10(2-4-11)9-23-15(20)8-19-24(21,22)12-5-6-13(17)14(18)7-12/h1-7,19H,8-9H2
InChIKeyCDXPVXMZKPTTMX-UHFFFAOYSA-N
XLogP3.78
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.14
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromophenyl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate
CID 42982279
(1-amino-1-oxopropan-2-yl) 2-[(3,4-dichlorophenyl)sulfonylamino]acetate
CID 46794901
[2-(4-chloroanilino)-2-oxoethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate
CID 35986124
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate
CID 18277091
(3-bromophenyl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate
CID 7839574
methyl 2-[(4-bromophenyl)sulfonylamino]acetate
CID 669307
ethyl 4-[[2-[(4-chlorophenyl)methoxy]-2-oxoethyl]sulfamoyl]benzoate
CID 7725585
(4-methylphenyl)methyl 2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetate
CID 7847537
[2-(N-methylanilino)-2-oxoethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate
CID 46794889
benzyl 2-[(3-methylphenyl)sulfonylamino]acetate
CID 3735123
(4-cyanophenyl)methyl 2-(naphthalen-2-ylsulfonylamino)acetate
CID 7906463
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate
CID 33296744

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)methyl 2-[(3,4-dichlorophenyl)sulfonylamino]acetate?
The IUPAC name of (4-bromophenyl)methyl 2-[(3,4-dichlorophenyl)sulfonylamino]acetate (CID 1218601) is (4-bromophenyl)methyl 2-[(3,4-dichlorophenyl)sulfonylamino]acetate.
What is the SMILES notation for (4-bromophenyl)methyl 2-[(3,4-dichlorophenyl)sulfonylamino]acetate?
The canonical SMILES for (4-bromophenyl)methyl 2-[(3,4-dichlorophenyl)sulfonylamino]acetate is O=C(CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)OCc1ccc(Br)cc1.
What is the InChIKey of (4-bromophenyl)methyl 2-[(3,4-dichlorophenyl)sulfonylamino]acetate?
The InChIKey is CDXPVXMZKPTTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrCl2NO4S/c16-11-3-1-10(2-4-11)9-23-15(20)8-19-24(21,22)12-5-6-13(17)14(18)7-12/h1-7,19H,8-9H2.
What are the key properties of (4-bromophenyl)methyl 2-[(3,4-dichlorophenyl)sulfonylamino]acetate?
(4-bromophenyl)methyl 2-[(3,4-dichlorophenyl)sulfonylamino]acetate has a molecular weight of 453.14 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)methyl 2-[(3,4-dichlorophenyl)sulfonylamino]acetate is sourced from PubChem (CID 1218601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).