methyl 2-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]sulfonylamino]-6-fluorobenzoate

C10H13FN2O5S2 — CID 154764840

IUPACmethyl 2-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]sulfonylamino]-6-fluorobenzoate
SMILESCOC(=O)c1c(F)cccc1NS(=O)(=O)N=S(C)(C)=O
InChIInChI=1S/C10H13FN2O5S2/c1-18-10(14)9-7(11)5-4-6-8(9)12-20(16,17)13-19(2,3)15/h4-6,12H,1-3H3
InChIKeyFECWPGUKLMHNEL-UHFFFAOYSA-N
MW324.36 g/mol
LogP1.00
Rot. Bonds4

About methyl 2-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]sulfonylamino]-6-fluorobenzoate

methyl 2-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]sulfonylamino]-6-fluorobenzoate (PubChem CID 154764840) has the molecular formula C10H13FN2O5S2 and a molecular weight of 324.36 g/mol. Its IUPAC name is methyl 2-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]sulfonylamino]-6-fluorobenzoate.

Molecular Properties

Compound Namemethyl 2-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]sulfonylamino]-6-fluorobenzoate
PubChem CID154764840
Molecular FormulaC10H13FN2O5S2
Molecular Weight324.36 g/mol
Exact Mass324.02
IUPAC Namemethyl 2-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]sulfonylamino]-6-fluorobenzoate
SMILESCOC(=O)c1c(F)cccc1NS(=O)(=O)N=S(C)(C)=O
InChIInChI=1S/C10H13FN2O5S2/c1-18-10(14)9-7(11)5-4-6-8(9)12-20(16,17)13-19(2,3)15/h4-6,12H,1-3H3
InChIKeyFECWPGUKLMHNEL-UHFFFAOYSA-N
XLogP1.00
TPSA101.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]sulfonylamino]-6-fluorobenzoate with MolForge

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Related Compounds

2-(cyclopentylsulfonylamino)-6-fluorobenzoic acid
CID 113230561
2-(cyclohexylsulfonylamino)-6-fluorobenzoic acid
CID 61066174
methyl 2-fluoro-6-(2-methylbutanoylamino)benzoate
CID 144566925
2-fluoro-6-(sulfamoylamino)benzoic acid
CID 114958773
methyl 2,6-difluorobenzoate;tricosane
CID 174987111
methyl 2-fluoro-6-(2,3,4,5,6-pentachlorophenyl)benzoate
CID 134635064
methyl 3-fluoro-2-(methanesulfonamido)benzoate
CID 58029841
methyl 2-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carbonylamino)-6-fluorobenzoate
CID 122148542
methyl 2-[(3-bromophenyl)sulfonylamino]-6-methylbenzoate
CID 17480748
methyl 2-(2,4-dichlorophenyl)-6-fluorobenzoate
CID 119010018
methyl 2-(difluoromethoxy)-6-fluorobenzoate
CID 59487507
methyl 2-[[2-(2,6-difluoro-N-methylsulfonylanilino)acetyl]amino]benzoate
CID 113157666

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]sulfonylamino]-6-fluorobenzoate?
The IUPAC name of methyl 2-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]sulfonylamino]-6-fluorobenzoate (CID 154764840) is methyl 2-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]sulfonylamino]-6-fluorobenzoate.
What is the SMILES notation for methyl 2-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]sulfonylamino]-6-fluorobenzoate?
The canonical SMILES for methyl 2-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]sulfonylamino]-6-fluorobenzoate is COC(=O)c1c(F)cccc1NS(=O)(=O)N=S(C)(C)=O.
What is the InChIKey of methyl 2-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]sulfonylamino]-6-fluorobenzoate?
The InChIKey is FECWPGUKLMHNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O5S2/c1-18-10(14)9-7(11)5-4-6-8(9)12-20(16,17)13-19(2,3)15/h4-6,12H,1-3H3.
What are the key properties of methyl 2-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]sulfonylamino]-6-fluorobenzoate?
methyl 2-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]sulfonylamino]-6-fluorobenzoate has a molecular weight of 324.36 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]sulfonylamino]-6-fluorobenzoate is sourced from PubChem (CID 154764840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).