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

C16H16FNO6S — CID 2480010

IUPACmethyl 2-[(2-fluorophenyl)sulfonylamino]-4,5-dimethoxybenzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C16H16FNO6S/c1-22-13-8-10(16(19)24-3)12(9-14(13)23-2)18-25(20,21)15-7-5-4-6-11(15)17/h4-9,18H,1-3H3
InChIKeySARXRUBVXFPWNF-UHFFFAOYSA-N
MW369.37 g/mol
LogP2.43
Rot. Bonds6

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

methyl 2-[(2-fluorophenyl)sulfonylamino]-4,5-dimethoxybenzoate (PubChem CID 2480010) has the molecular formula C16H16FNO6S and a molecular weight of 369.37 g/mol. Its IUPAC name is methyl 2-[(2-fluorophenyl)sulfonylamino]-4,5-dimethoxybenzoate.

Molecular Properties

Compound Namemethyl 2-[(2-fluorophenyl)sulfonylamino]-4,5-dimethoxybenzoate
PubChem CID2480010
Molecular FormulaC16H16FNO6S
Molecular Weight369.37 g/mol
Exact Mass369.07
IUPAC Namemethyl 2-[(2-fluorophenyl)sulfonylamino]-4,5-dimethoxybenzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C16H16FNO6S/c1-22-13-8-10(16(19)24-3)12(9-14(13)23-2)18-25(20,21)15-7-5-4-6-11(15)17/h4-9,18H,1-3H3
InChIKeySARXRUBVXFPWNF-UHFFFAOYSA-N
XLogP2.43
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(2-fluorophenyl)sulfonylamino]-4,5-dimethoxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,4-dibromo-5-methoxyphenyl)-2-fluorobenzenesulfonamide
CID 103412574
methyl 2-[(3-chloro-4-fluorophenyl)sulfonylamino]-4,5-dimethoxybenzoate
CID 8603632
methyl 2-[(4-iodophenyl)sulfonylamino]-4,5-dimethoxybenzoate
CID 3486727
methyl 4,5-dimethoxy-2-[(5-methoxycarbonyl-2-methylphenyl)sulfonylamino]benzoate
CID 35508855
methyl 2-[(5-tert-butyl-2-methylphenyl)sulfonylamino]-4,5-dimethoxybenzoate
CID 7941100
N-(5-bromo-2-methoxyphenyl)-2-fluorobenzenesulfonamide
CID 47310958
N-(5-chloro-2-methoxyphenyl)-2-fluorobenzenesulfonamide
CID 2696930
methyl 2-[(2-methoxyphenyl)sulfonylamino]benzoate
CID 110757322
methyl 2-[(2,4-dichloro-5-methylphenyl)sulfonylamino]-4,5-dimethoxybenzoate
CID 3459990
N-[4-[(2-fluorophenyl)sulfonylamino]-2-methoxyphenyl]acetamide
CID 60527169
methyl 2-[(2-methoxy-5-methylphenyl)sulfamoyl]benzoate
CID 7939248
methyl 4,5-dimethoxy-2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]benzoate
CID 100508887

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-fluorophenyl)sulfonylamino]-4,5-dimethoxybenzoate?
The IUPAC name of methyl 2-[(2-fluorophenyl)sulfonylamino]-4,5-dimethoxybenzoate (CID 2480010) is methyl 2-[(2-fluorophenyl)sulfonylamino]-4,5-dimethoxybenzoate.
What is the SMILES notation for methyl 2-[(2-fluorophenyl)sulfonylamino]-4,5-dimethoxybenzoate?
The canonical SMILES for methyl 2-[(2-fluorophenyl)sulfonylamino]-4,5-dimethoxybenzoate is COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1ccccc1F.
What is the InChIKey of methyl 2-[(2-fluorophenyl)sulfonylamino]-4,5-dimethoxybenzoate?
The InChIKey is SARXRUBVXFPWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO6S/c1-22-13-8-10(16(19)24-3)12(9-14(13)23-2)18-25(20,21)15-7-5-4-6-11(15)17/h4-9,18H,1-3H3.
What are the key properties of methyl 2-[(2-fluorophenyl)sulfonylamino]-4,5-dimethoxybenzoate?
methyl 2-[(2-fluorophenyl)sulfonylamino]-4,5-dimethoxybenzoate has a molecular weight of 369.37 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-fluorophenyl)sulfonylamino]-4,5-dimethoxybenzoate is sourced from PubChem (CID 2480010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).