4-[fluoro(methoxy)methyl]-3-sulfamoylbenzamide

C9H11FN2O4S — CID 90990127

IUPAC4-[fluoro(methoxy)methyl]-3-sulfamoylbenzamide
SMILESCOC(F)c1ccc(C(N)=O)cc1S(N)(=O)=O
InChIInChI=1S/C9H11FN2O4S/c1-16-8(10)6-3-2-5(9(11)13)4-7(6)17(12,14)15/h2-4,8H,1H3,(H2,11,13)(H2,12,14,15)
InChIKeyOWMBMSCCEXTPDX-UHFFFAOYSA-N
MW262.26 g/mol
LogP0.05
Rot. Bonds4

About 4-[fluoro(methoxy)methyl]-3-sulfamoylbenzamide

4-[fluoro(methoxy)methyl]-3-sulfamoylbenzamide (PubChem CID 90990127) has the molecular formula C9H11FN2O4S and a molecular weight of 262.26 g/mol. Its IUPAC name is 4-[fluoro(methoxy)methyl]-3-sulfamoylbenzamide.

Molecular Properties

Compound Name4-[fluoro(methoxy)methyl]-3-sulfamoylbenzamide
PubChem CID90990127
Molecular FormulaC9H11FN2O4S
Molecular Weight262.26 g/mol
Exact Mass262.04
IUPAC Name4-[fluoro(methoxy)methyl]-3-sulfamoylbenzamide
SMILESCOC(F)c1ccc(C(N)=O)cc1S(N)(=O)=O
InChIInChI=1S/C9H11FN2O4S/c1-16-8(10)6-3-2-5(9(11)13)4-7(6)17(12,14)15/h2-4,8H,1H3,(H2,11,13)(H2,12,14,15)
InChIKeyOWMBMSCCEXTPDX-UHFFFAOYSA-N
XLogP0.05
TPSA112.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[fluoro(methoxy)methyl]-3-sulfamoylbenzamide?
The IUPAC name of 4-[fluoro(methoxy)methyl]-3-sulfamoylbenzamide (CID 90990127) is 4-[fluoro(methoxy)methyl]-3-sulfamoylbenzamide.
What is the SMILES notation for 4-[fluoro(methoxy)methyl]-3-sulfamoylbenzamide?
The canonical SMILES for 4-[fluoro(methoxy)methyl]-3-sulfamoylbenzamide is COC(F)c1ccc(C(N)=O)cc1S(N)(=O)=O.
What is the InChIKey of 4-[fluoro(methoxy)methyl]-3-sulfamoylbenzamide?
The InChIKey is OWMBMSCCEXTPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O4S/c1-16-8(10)6-3-2-5(9(11)13)4-7(6)17(12,14)15/h2-4,8H,1H3,(H2,11,13)(H2,12,14,15).
What are the key properties of 4-[fluoro(methoxy)methyl]-3-sulfamoylbenzamide?
4-[fluoro(methoxy)methyl]-3-sulfamoylbenzamide has a molecular weight of 262.26 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[fluoro(methoxy)methyl]-3-sulfamoylbenzamide is sourced from PubChem (CID 90990127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).