methyl 2-[(4-chlorophenyl)sulfonylamino]-4,5-dimethoxybenzoate

C16H16ClNO6S — CID 2808744

IUPACmethyl 2-[(4-chlorophenyl)sulfonylamino]-4,5-dimethoxybenzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClNO6S/c1-22-14-8-12(16(19)24-3)13(9-15(14)23-2)18-25(20,21)11-6-4-10(17)5-7-11/h4-9,18H,1-3H3
InChIKeyHGXSUKUDESFBHW-UHFFFAOYSA-N
MW385.83 g/mol
LogP2.94
Rot. Bonds6

About methyl 2-[(4-chlorophenyl)sulfonylamino]-4,5-dimethoxybenzoate

methyl 2-[(4-chlorophenyl)sulfonylamino]-4,5-dimethoxybenzoate (PubChem CID 2808744) has the molecular formula C16H16ClNO6S and a molecular weight of 385.83 g/mol. Its IUPAC name is methyl 2-[(4-chlorophenyl)sulfonylamino]-4,5-dimethoxybenzoate.

Molecular Properties

Compound Namemethyl 2-[(4-chlorophenyl)sulfonylamino]-4,5-dimethoxybenzoate
PubChem CID2808744
Molecular FormulaC16H16ClNO6S
Molecular Weight385.83 g/mol
Exact Mass385.04
IUPAC Namemethyl 2-[(4-chlorophenyl)sulfonylamino]-4,5-dimethoxybenzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClNO6S/c1-22-14-8-12(16(19)24-3)13(9-15(14)23-2)18-25(20,21)11-6-4-10(17)5-7-11/h4-9,18H,1-3H3
InChIKeyHGXSUKUDESFBHW-UHFFFAOYSA-N
XLogP2.94
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.83
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-chlorophenyl)sulfonylamino]-4,5-dimethoxybenzoate?
The IUPAC name of methyl 2-[(4-chlorophenyl)sulfonylamino]-4,5-dimethoxybenzoate (CID 2808744) is methyl 2-[(4-chlorophenyl)sulfonylamino]-4,5-dimethoxybenzoate.
What is the SMILES notation for methyl 2-[(4-chlorophenyl)sulfonylamino]-4,5-dimethoxybenzoate?
The canonical SMILES for methyl 2-[(4-chlorophenyl)sulfonylamino]-4,5-dimethoxybenzoate is COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of methyl 2-[(4-chlorophenyl)sulfonylamino]-4,5-dimethoxybenzoate?
The InChIKey is HGXSUKUDESFBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO6S/c1-22-14-8-12(16(19)24-3)13(9-15(14)23-2)18-25(20,21)11-6-4-10(17)5-7-11/h4-9,18H,1-3H3.
What are the key properties of methyl 2-[(4-chlorophenyl)sulfonylamino]-4,5-dimethoxybenzoate?
methyl 2-[(4-chlorophenyl)sulfonylamino]-4,5-dimethoxybenzoate has a molecular weight of 385.83 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-chlorophenyl)sulfonylamino]-4,5-dimethoxybenzoate is sourced from PubChem (CID 2808744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).