(4-bromophenyl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate

C16H15BrClNO4S — CID 42982279

IUPAC(4-bromophenyl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate
SMILESO=C(CCNS(=O)(=O)c1cccc(Cl)c1)OCc1ccc(Br)cc1
InChIInChI=1S/C16H15BrClNO4S/c17-13-6-4-12(5-7-13)11-23-16(20)8-9-19-24(21,22)15-3-1-2-14(18)10-15/h1-7,10,19H,8-9,11H2
InChIKeyOPEYVPXGORSYCF-UHFFFAOYSA-N
MW432.72 g/mol
LogP3.51
Rot. Bonds7

About (4-bromophenyl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate

(4-bromophenyl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate (PubChem CID 42982279) has the molecular formula C16H15BrClNO4S and a molecular weight of 432.72 g/mol. Its IUPAC name is (4-bromophenyl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name(4-bromophenyl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate
PubChem CID42982279
Molecular FormulaC16H15BrClNO4S
Molecular Weight432.72 g/mol
Exact Mass430.96
IUPAC Name(4-bromophenyl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate
SMILESO=C(CCNS(=O)(=O)c1cccc(Cl)c1)OCc1ccc(Br)cc1
InChIInChI=1S/C16H15BrClNO4S/c17-13-6-4-12(5-7-13)11-23-16(20)8-9-19-24(21,22)15-3-1-2-14(18)10-15/h1-7,10,19H,8-9,11H2
InChIKeyOPEYVPXGORSYCF-UHFFFAOYSA-N
XLogP3.51
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.72
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-fluorophenyl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate
CID 42982280
(4-chlorophenyl)methyl 3-(benzenesulfonamido)propanoate
CID 7913012
(4-phenylphenyl)methyl 3-(benzenesulfonamido)propanoate
CID 7913084
N-[2-(4-bromophenoxy)ethyl]-3-chlorobenzenesulfonamide
CID 113099755
(4-fluorophenyl)methyl 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate
CID 42965943
(5-acetyl-2-methoxyphenyl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate
CID 41035641
(4-bromophenyl)methyl 2-[(3,4-dichlorophenyl)sulfonylamino]acetate
CID 1218601
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate
CID 41035928
(3-fluorophenyl)methyl 3-[(3-chloro-4-fluorophenyl)sulfonylamino]propanoate
CID 7806807
(4-chlorophenyl)methyl 3-[(4-acetylphenyl)sulfonylamino]propanoate
CID 7725647
benzyl 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 7414463
3-chloro-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide
CID 61017413

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate?
The IUPAC name of (4-bromophenyl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate (CID 42982279) is (4-bromophenyl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate.
What is the SMILES notation for (4-bromophenyl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate?
The canonical SMILES for (4-bromophenyl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate is O=C(CCNS(=O)(=O)c1cccc(Cl)c1)OCc1ccc(Br)cc1.
What is the InChIKey of (4-bromophenyl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate?
The InChIKey is OPEYVPXGORSYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO4S/c17-13-6-4-12(5-7-13)11-23-16(20)8-9-19-24(21,22)15-3-1-2-14(18)10-15/h1-7,10,19H,8-9,11H2.
What are the key properties of (4-bromophenyl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate?
(4-bromophenyl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate has a molecular weight of 432.72 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate is sourced from PubChem (CID 42982279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).