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

C16H15Cl2NO4S — CID 5013903

IUPACmethyl 2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H15Cl2NO4S/c1-23-16(20)15(9-11-5-3-2-4-6-11)19-24(21,22)12-7-8-13(17)14(18)10-12/h2-8,10,15,19H,9H2,1H3
InChIKeySTLYTQIHEYAMKA-UHFFFAOYSA-N
MW388.27 g/mol
LogP3.06
Rot. Bonds6

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

methyl 2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoate (PubChem CID 5013903) has the molecular formula C16H15Cl2NO4S and a molecular weight of 388.27 g/mol. Its IUPAC name is methyl 2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoate
PubChem CID5013903
Molecular FormulaC16H15Cl2NO4S
Molecular Weight388.27 g/mol
Exact Mass387.01
IUPAC Namemethyl 2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H15Cl2NO4S/c1-23-16(20)15(9-11-5-3-2-4-6-11)19-24(21,22)12-7-8-13(17)14(18)10-12/h2-8,10,15,19H,9H2,1H3
InChIKeySTLYTQIHEYAMKA-UHFFFAOYSA-N
XLogP3.06
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.27
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoate
CID 3798120
methyl 2-[(3-chloro-4-fluorophenyl)sulfonylamino]-3-phenylpropanoate
CID 3673321
2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoic acid
CID 43827519
methyl (2R)-2-[(4-acetamidophenyl)sulfonylamino]-3-phenylpropanoate
CID 40521531
methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 2496939
methyl 2-[(3,4-dichlorophenyl)sulfonylamino]-4-methylpentanoate
CID 43404937
(2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 30143159
methyl 2-[(3-fluorophenyl)sulfonylamino]-3-phenylpropanoate
CID 3854350
methyl 2-[(4-tert-butylphenyl)sulfonylamino]-3-phenylpropanoate
CID 3837922
methyl 3-phenyl-2-[(4-propan-2-yloxyphenyl)sulfonylamino]propanoate
CID 110504250
methyl 2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 78516433
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-propan-2-ylpropanamide
CID 43870877

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoate?
The IUPAC name of methyl 2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoate (CID 5013903) is methyl 2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoate.
What is the SMILES notation for methyl 2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoate?
The canonical SMILES for methyl 2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoate is COC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of methyl 2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoate?
The InChIKey is STLYTQIHEYAMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO4S/c1-23-16(20)15(9-11-5-3-2-4-6-11)19-24(21,22)12-7-8-13(17)14(18)10-12/h2-8,10,15,19H,9H2,1H3.
What are the key properties of methyl 2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoate?
methyl 2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoate has a molecular weight of 388.27 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoate is sourced from PubChem (CID 5013903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).