[4-(difluoromethoxy)-3-methoxyphenyl]methyl 3-[(2,6-dichlorophenyl)sulfonylamino]propanoate

C18H17Cl2F2NO6S — CID 30785695

IUPAC[4-(difluoromethoxy)-3-methoxyphenyl]methyl 3-[(2,6-dichlorophenyl)sulfonylamino]propanoate
SMILESCOc1cc(COC(=O)CCNS(=O)(=O)c2c(Cl)cccc2Cl)ccc1OC(F)F
InChIInChI=1S/C18H17Cl2F2NO6S/c1-27-15-9-11(5-6-14(15)29-18(21)22)10-28-16(24)7-8-23-30(25,26)17-12(19)3-2-4-13(17)20/h2-6,9,18,23H,7-8,10H2,1H3
InChIKeyZVYNHXOWTORQCY-UHFFFAOYSA-N
MW484.30 g/mol
LogP4.02
Rot. Bonds10

About [4-(difluoromethoxy)-3-methoxyphenyl]methyl 3-[(2,6-dichlorophenyl)sulfonylamino]propanoate

[4-(difluoromethoxy)-3-methoxyphenyl]methyl 3-[(2,6-dichlorophenyl)sulfonylamino]propanoate (PubChem CID 30785695) has the molecular formula C18H17Cl2F2NO6S and a molecular weight of 484.30 g/mol. Its IUPAC name is [4-(difluoromethoxy)-3-methoxyphenyl]methyl 3-[(2,6-dichlorophenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name[4-(difluoromethoxy)-3-methoxyphenyl]methyl 3-[(2,6-dichlorophenyl)sulfonylamino]propanoate
PubChem CID30785695
Molecular FormulaC18H17Cl2F2NO6S
Molecular Weight484.30 g/mol
Exact Mass483.01
IUPAC Name[4-(difluoromethoxy)-3-methoxyphenyl]methyl 3-[(2,6-dichlorophenyl)sulfonylamino]propanoate
SMILESCOc1cc(COC(=O)CCNS(=O)(=O)c2c(Cl)cccc2Cl)ccc1OC(F)F
InChIInChI=1S/C18H17Cl2F2NO6S/c1-27-15-9-11(5-6-14(15)29-18(21)22)10-28-16(24)7-8-23-30(25,26)17-12(19)3-2-4-13(17)20/h2-6,9,18,23H,7-8,10H2,1H3
InChIKeyZVYNHXOWTORQCY-UHFFFAOYSA-N
XLogP4.02
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.30
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-(difluoromethoxy)-3-methoxyphenyl]methyl 3-[(2,6-dichlorophenyl)sulfonylamino]propanoate with MolForge

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Related Compounds

[4-(difluoromethoxy)-3-methoxyphenyl]methyl butanoate
CID 78805538
[4-(pyrrolidine-1-carbonyl)phenyl]methyl 3-[(2,6-dichlorophenyl)sulfonylamino]propanoate
CID 32972641
4-O-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 42115193
(3-fluoro-4-methoxyphenyl)methyl 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 7806955
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanamide
CID 55653319
4-acetyl-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]benzenesulfonamide
CID 8817900
[4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-[(3,5-dimethylbenzoyl)amino]acetate
CID 30760216
[4-(difluoromethoxy)-3-methoxyphenyl]methyl 3-(4-methylpyrazol-1-yl)propanoate
CID 60554501
(4-chlorophenyl)methyl 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate
CID 7580674
(2,6-dichlorophenyl)methyl 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate
CID 7234432
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
CID 39123867
4-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfamoyl]-1-methylpyrrole-2-carboxamide
CID 55564863

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethoxy)-3-methoxyphenyl]methyl 3-[(2,6-dichlorophenyl)sulfonylamino]propanoate?
The IUPAC name of [4-(difluoromethoxy)-3-methoxyphenyl]methyl 3-[(2,6-dichlorophenyl)sulfonylamino]propanoate (CID 30785695) is [4-(difluoromethoxy)-3-methoxyphenyl]methyl 3-[(2,6-dichlorophenyl)sulfonylamino]propanoate.
What is the SMILES notation for [4-(difluoromethoxy)-3-methoxyphenyl]methyl 3-[(2,6-dichlorophenyl)sulfonylamino]propanoate?
The canonical SMILES for [4-(difluoromethoxy)-3-methoxyphenyl]methyl 3-[(2,6-dichlorophenyl)sulfonylamino]propanoate is COc1cc(COC(=O)CCNS(=O)(=O)c2c(Cl)cccc2Cl)ccc1OC(F)F.
What is the InChIKey of [4-(difluoromethoxy)-3-methoxyphenyl]methyl 3-[(2,6-dichlorophenyl)sulfonylamino]propanoate?
The InChIKey is ZVYNHXOWTORQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2F2NO6S/c1-27-15-9-11(5-6-14(15)29-18(21)22)10-28-16(24)7-8-23-30(25,26)17-12(19)3-2-4-13(17)20/h2-6,9,18,23H,7-8,10H2,1H3.
What are the key properties of [4-(difluoromethoxy)-3-methoxyphenyl]methyl 3-[(2,6-dichlorophenyl)sulfonylamino]propanoate?
[4-(difluoromethoxy)-3-methoxyphenyl]methyl 3-[(2,6-dichlorophenyl)sulfonylamino]propanoate has a molecular weight of 484.30 g/mol, XLogP of 4.02, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethoxy)-3-methoxyphenyl]methyl 3-[(2,6-dichlorophenyl)sulfonylamino]propanoate is sourced from PubChem (CID 30785695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).