methyl 2-[cyclopropyl(methyl)sulfamoyl]-4-fluorobenzoate

C12H14FNO4S — CID 113230618

IUPACmethyl 2-[cyclopropyl(methyl)sulfamoyl]-4-fluorobenzoate
SMILESCOC(=O)c1ccc(F)cc1S(=O)(=O)N(C)C1CC1
InChIInChI=1S/C12H14FNO4S/c1-14(9-4-5-9)19(16,17)11-7-8(13)3-6-10(11)12(15)18-2/h3,6-7,9H,4-5H2,1-2H3
InChIKeyMVVFPRXHAWFAAI-UHFFFAOYSA-N
MW287.31 g/mol
LogP1.40
Rot. Bonds4

About methyl 2-[cyclopropyl(methyl)sulfamoyl]-4-fluorobenzoate

methyl 2-[cyclopropyl(methyl)sulfamoyl]-4-fluorobenzoate (PubChem CID 113230618) has the molecular formula C12H14FNO4S and a molecular weight of 287.31 g/mol. Its IUPAC name is methyl 2-[cyclopropyl(methyl)sulfamoyl]-4-fluorobenzoate.

Molecular Properties

Compound Namemethyl 2-[cyclopropyl(methyl)sulfamoyl]-4-fluorobenzoate
PubChem CID113230618
Molecular FormulaC12H14FNO4S
Molecular Weight287.31 g/mol
Exact Mass287.06
IUPAC Namemethyl 2-[cyclopropyl(methyl)sulfamoyl]-4-fluorobenzoate
SMILESCOC(=O)c1ccc(F)cc1S(=O)(=O)N(C)C1CC1
InChIInChI=1S/C12H14FNO4S/c1-14(9-4-5-9)19(16,17)11-7-8(13)3-6-10(11)12(15)18-2/h3,6-7,9H,4-5H2,1-2H3
InChIKeyMVVFPRXHAWFAAI-UHFFFAOYSA-N
XLogP1.40
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopentyl(methyl)sulfamoyl]-4-fluorobenzoic acid
CID 102919407
methyl 2-[cyclopropylmethyl(ethyl)sulfamoyl]-4-fluorobenzoate
CID 102919539
methyl 4-fluoro-2-(oxan-4-ylsulfamoyl)benzoate
CID 103833498
methyl 2-[butan-2-yl(ethyl)sulfamoyl]-4-fluorobenzoate
CID 102919416
methyl 2-(cyclopentyloxysulfamoyl)-4-fluorobenzoate
CID 102919619
methyl 4-fluoro-2-[(2-methylcyclopropyl)sulfamoyl]benzoate
CID 102919514
methyl 2-[2-cyanopropyl(methyl)sulfamoyl]-4-fluorobenzoate
CID 103833465
2,5-difluoro-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 60545461
methyl 2-(4-amino-3,3-dimethylpiperidin-1-yl)sulfonyl-4-fluorobenzoate
CID 120779192
methyl 2-(3-cyclopropylpropylsulfamoyl)-4-fluorobenzoate
CID 103833685
methyl 4-fluoro-2-(thiolan-3-ylsulfamoyl)benzoate
CID 103836299
methyl 4-fluoro-2-[(1-methylpyrrolidin-3-yl)sulfamoyl]benzoate
CID 103833514

Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclopropyl(methyl)sulfamoyl]-4-fluorobenzoate?
The IUPAC name of methyl 2-[cyclopropyl(methyl)sulfamoyl]-4-fluorobenzoate (CID 113230618) is methyl 2-[cyclopropyl(methyl)sulfamoyl]-4-fluorobenzoate.
What is the SMILES notation for methyl 2-[cyclopropyl(methyl)sulfamoyl]-4-fluorobenzoate?
The canonical SMILES for methyl 2-[cyclopropyl(methyl)sulfamoyl]-4-fluorobenzoate is COC(=O)c1ccc(F)cc1S(=O)(=O)N(C)C1CC1.
What is the InChIKey of methyl 2-[cyclopropyl(methyl)sulfamoyl]-4-fluorobenzoate?
The InChIKey is MVVFPRXHAWFAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO4S/c1-14(9-4-5-9)19(16,17)11-7-8(13)3-6-10(11)12(15)18-2/h3,6-7,9H,4-5H2,1-2H3.
What are the key properties of methyl 2-[cyclopropyl(methyl)sulfamoyl]-4-fluorobenzoate?
methyl 2-[cyclopropyl(methyl)sulfamoyl]-4-fluorobenzoate has a molecular weight of 287.31 g/mol, XLogP of 1.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cyclopropyl(methyl)sulfamoyl]-4-fluorobenzoate is sourced from PubChem (CID 113230618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).