fluoro 1-ethyl-2-(4-sulfamoylphenyl)cyclopropane-1-carboxylate

C12H14FNO4S — CID 174935767

IUPACfluoro 1-ethyl-2-(4-sulfamoylphenyl)cyclopropane-1-carboxylate
SMILESCCC1(C(=O)OF)CC1c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H14FNO4S/c1-2-12(11(15)18-13)7-10(12)8-3-5-9(6-4-8)19(14,16)17/h3-6,10H,2,7H2,1H3,(H2,14,16,17)
InChIKeyKRCWNOHTCROHLD-UHFFFAOYSA-N
MW287.31 g/mol
LogP1.65
Rot. Bonds4

About fluoro 1-ethyl-2-(4-sulfamoylphenyl)cyclopropane-1-carboxylate

fluoro 1-ethyl-2-(4-sulfamoylphenyl)cyclopropane-1-carboxylate (PubChem CID 174935767) has the molecular formula C12H14FNO4S and a molecular weight of 287.31 g/mol. Its IUPAC name is fluoro 1-ethyl-2-(4-sulfamoylphenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namefluoro 1-ethyl-2-(4-sulfamoylphenyl)cyclopropane-1-carboxylate
PubChem CID174935767
Molecular FormulaC12H14FNO4S
Molecular Weight287.31 g/mol
Exact Mass287.06
IUPAC Namefluoro 1-ethyl-2-(4-sulfamoylphenyl)cyclopropane-1-carboxylate
SMILESCCC1(C(=O)OF)CC1c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H14FNO4S/c1-2-12(11(15)18-13)7-10(12)8-3-5-9(6-4-8)19(14,16)17/h3-6,10H,2,7H2,1H3,(H2,14,16,17)
InChIKeyKRCWNOHTCROHLD-UHFFFAOYSA-N
XLogP1.65
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

trans-ethyl (1R,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylate
CID 102520538
trans-(1R,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylic acid
CID 70637110
1-ethyl-2-(4-trimethylsilylphenyl)cyclopropane-1-carboxylic acid
CID 57163811
N'-hydroxy-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboximidamide
CID 130455338
cis-ethyl (1S,2R)-2-phenyl-1-propylcyclopropane-1-carboxylate
CID 101471522
4-propanoylbenzenesulfonamide
CID 70209431
1-ethyl-3-[(4-sulfamoylphenyl)methyl]urea
CID 24685233
ethyl N-[(4-sulfamoylphenyl)methyl]carbamate
CID 5054603
methyl 2-methyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxylate
CID 130448245
4-(5-acetyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)benzenesulfonamide
CID 177382367
cis-ethyl (1R,2S)-1-(aminomethyl)-2-(4-methylphenyl)sulfonylcyclopropane-1-carboxylate
CID 99999528
(3S,4S)-4-hydroxy-3-propyl-1-(4-sulfamoylphenyl)sulfonylpiperidine-3-carboxylic acid
CID 135113448

Frequently Asked Questions

What is the IUPAC name of fluoro 1-ethyl-2-(4-sulfamoylphenyl)cyclopropane-1-carboxylate?
The IUPAC name of fluoro 1-ethyl-2-(4-sulfamoylphenyl)cyclopropane-1-carboxylate (CID 174935767) is fluoro 1-ethyl-2-(4-sulfamoylphenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for fluoro 1-ethyl-2-(4-sulfamoylphenyl)cyclopropane-1-carboxylate?
The canonical SMILES for fluoro 1-ethyl-2-(4-sulfamoylphenyl)cyclopropane-1-carboxylate is CCC1(C(=O)OF)CC1c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of fluoro 1-ethyl-2-(4-sulfamoylphenyl)cyclopropane-1-carboxylate?
The InChIKey is KRCWNOHTCROHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO4S/c1-2-12(11(15)18-13)7-10(12)8-3-5-9(6-4-8)19(14,16)17/h3-6,10H,2,7H2,1H3,(H2,14,16,17).
What are the key properties of fluoro 1-ethyl-2-(4-sulfamoylphenyl)cyclopropane-1-carboxylate?
fluoro 1-ethyl-2-(4-sulfamoylphenyl)cyclopropane-1-carboxylate has a molecular weight of 287.31 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 1-ethyl-2-(4-sulfamoylphenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 174935767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).