methyl 5-[(2,6-difluorophenyl)sulfonylamino]-2-fluorobenzoate

C14H10F3NO4S — CID 33490699

IUPACmethyl 5-[(2,6-difluorophenyl)sulfonylamino]-2-fluorobenzoate
SMILESCOC(=O)c1cc(NS(=O)(=O)c2c(F)cccc2F)ccc1F
InChIInChI=1S/C14H10F3NO4S/c1-22-14(19)9-7-8(5-6-10(9)15)18-23(20,21)13-11(16)3-2-4-12(13)17/h2-7,18H,1H3
InChIKeyIHCACCJKOKLBCR-UHFFFAOYSA-N
MW345.30 g/mol
LogP2.69
Rot. Bonds4

About methyl 5-[(2,6-difluorophenyl)sulfonylamino]-2-fluorobenzoate

methyl 5-[(2,6-difluorophenyl)sulfonylamino]-2-fluorobenzoate (PubChem CID 33490699) has the molecular formula C14H10F3NO4S and a molecular weight of 345.30 g/mol. Its IUPAC name is methyl 5-[(2,6-difluorophenyl)sulfonylamino]-2-fluorobenzoate.

Molecular Properties

Compound Namemethyl 5-[(2,6-difluorophenyl)sulfonylamino]-2-fluorobenzoate
PubChem CID33490699
Molecular FormulaC14H10F3NO4S
Molecular Weight345.30 g/mol
Exact Mass345.03
IUPAC Namemethyl 5-[(2,6-difluorophenyl)sulfonylamino]-2-fluorobenzoate
SMILESCOC(=O)c1cc(NS(=O)(=O)c2c(F)cccc2F)ccc1F
InChIInChI=1S/C14H10F3NO4S/c1-22-14(19)9-7-8(5-6-10(9)15)18-23(20,21)13-11(16)3-2-4-12(13)17/h2-7,18H,1H3
InChIKeyIHCACCJKOKLBCR-UHFFFAOYSA-N
XLogP2.69
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.30
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(3,4-difluorophenyl)sulfamoyl]benzoate
CID 8500923
methyl 2-fluoro-5-(1H-pyrazol-5-ylsulfonylamino)benzoate
CID 102691734
methyl 5-[(4-aminothiophen-2-yl)sulfonylamino]-2-fluorobenzoate
CID 61300948
2,6-difluoro-N-[3-(methanesulfonamido)phenyl]benzenesulfonamide
CID 35540385
methyl 4-[(2,6-difluorophenyl)sulfonylamino]thiophene-3-carboxylate
CID 3763232
N-(3,4-dimethylphenyl)-2,6-difluorobenzenesulfonamide
CID 4793269
N-(3-acetylphenyl)-2,6-difluorobenzenesulfonamide
CID 3836983
methyl 3-[(2,6-difluorophenyl)sulfonylamino]-4-methylbenzoate
CID 2648322
methyl 5-[(2,3-difluorophenyl)methylamino]-2-fluorobenzoate
CID 63667213
N-(3-chloro-4-methylphenyl)-2,6-difluorobenzenesulfonamide
CID 3844257
methyl 3-[(3-chloro-4-fluorophenyl)sulfamoyl]-4-fluoro-1-benzothiophene-2-carboxylate
CID 16832085
methyl 2-chloro-5-[(2,5-dichlorophenyl)sulfonylamino]benzoate
CID 40715475

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2,6-difluorophenyl)sulfonylamino]-2-fluorobenzoate?
The IUPAC name of methyl 5-[(2,6-difluorophenyl)sulfonylamino]-2-fluorobenzoate (CID 33490699) is methyl 5-[(2,6-difluorophenyl)sulfonylamino]-2-fluorobenzoate.
What is the SMILES notation for methyl 5-[(2,6-difluorophenyl)sulfonylamino]-2-fluorobenzoate?
The canonical SMILES for methyl 5-[(2,6-difluorophenyl)sulfonylamino]-2-fluorobenzoate is COC(=O)c1cc(NS(=O)(=O)c2c(F)cccc2F)ccc1F.
What is the InChIKey of methyl 5-[(2,6-difluorophenyl)sulfonylamino]-2-fluorobenzoate?
The InChIKey is IHCACCJKOKLBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO4S/c1-22-14(19)9-7-8(5-6-10(9)15)18-23(20,21)13-11(16)3-2-4-12(13)17/h2-7,18H,1H3.
What are the key properties of methyl 5-[(2,6-difluorophenyl)sulfonylamino]-2-fluorobenzoate?
methyl 5-[(2,6-difluorophenyl)sulfonylamino]-2-fluorobenzoate has a molecular weight of 345.30 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2,6-difluorophenyl)sulfonylamino]-2-fluorobenzoate is sourced from PubChem (CID 33490699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).