5-chloro-4-(2-cyclopropylethoxy)-2-fluoro-N-sulfonylbenzamide

C12H11ClFNO4S — CID 122601326

IUPAC5-chloro-4-(2-cyclopropylethoxy)-2-fluoro-N-sulfonylbenzamide
SMILESO=C(N=S(=O)=O)c1cc(Cl)c(OCCC2CC2)cc1F
InChIInChI=1S/C12H11ClFNO4S/c13-9-5-8(12(16)15-20(17)18)10(14)6-11(9)19-4-3-7-1-2-7/h5-7H,1-4H2
InChIKeyPWJBIPQHGADGBX-UHFFFAOYSA-N
MW319.74 g/mol
LogP2.86
Rot. Bonds5

About 5-chloro-4-(2-cyclopropylethoxy)-2-fluoro-N-sulfonylbenzamide

5-chloro-4-(2-cyclopropylethoxy)-2-fluoro-N-sulfonylbenzamide (PubChem CID 122601326) has the molecular formula C12H11ClFNO4S and a molecular weight of 319.74 g/mol. Its IUPAC name is 5-chloro-4-(2-cyclopropylethoxy)-2-fluoro-N-sulfonylbenzamide.

Molecular Properties

Compound Name5-chloro-4-(2-cyclopropylethoxy)-2-fluoro-N-sulfonylbenzamide
PubChem CID122601326
Molecular FormulaC12H11ClFNO4S
Molecular Weight319.74 g/mol
Exact Mass319.01
IUPAC Name5-chloro-4-(2-cyclopropylethoxy)-2-fluoro-N-sulfonylbenzamide
SMILESO=C(N=S(=O)=O)c1cc(Cl)c(OCCC2CC2)cc1F
InChIInChI=1S/C12H11ClFNO4S/c13-9-5-8(12(16)15-20(17)18)10(14)6-11(9)19-4-3-7-1-2-7/h5-7H,1-4H2
InChIKeyPWJBIPQHGADGBX-UHFFFAOYSA-N
XLogP2.86
TPSA72.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.74
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 5-chloro-2-fluoro-4-(2-piperidin-4-ylethoxy)benzoate
CID 174800125
5-chloro-2-fluoro-N-sulfonyl-4-[(2,2,3,3-tetramethylcyclopropyl)methoxy]benzamide;methane
CID 118293167
5-chloro-2-(2-cyclopropylethoxy)benzenesulfinic acid
CID 165453775
4-(6-bicyclo[3.1.0]hexanylmethoxy)-5-chloro-2-fluorobenzoic acid
CID 140665983
tert-butyl 4-[[4,4-bis(fluoromethyl)cyclohexyl]methoxy]-5-chloro-2-fluorobenzoate
CID 90016248
tert-butyl 5-chloro-2-fluoro-4-(piperidin-3-ylmethoxy)benzoate
CID 174800043
4-[3-(3-bicyclo[3.3.1]nonanyl)propoxy]-5-chloro-2-fluoro-N-(methylsulfamoyl)benzamide
CID 130457847
5-cyclopropyl-4-[2-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]ethoxy]-2-fluorobenzamide
CID 144850725
tert-butyl 5-chloro-2-fluoro-4-[(2-methylcyclohexyl)methoxy]benzoate
CID 86703745
4-[2-(2,4,5-trichlorophenoxy)ethyl]piperidine
CID 56830089
1-chloro-4-(2-cyclopropylethoxy)-2-fluorobenzene
CID 82727266
tert-butyl 3-[[2-chloro-5-fluoro-4-[(2-methylpropan-2-yl)oxycarbonyl]phenoxy]methyl]azetidine-1-carboxylate
CID 118110910

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2-cyclopropylethoxy)-2-fluoro-N-sulfonylbenzamide?
The IUPAC name of 5-chloro-4-(2-cyclopropylethoxy)-2-fluoro-N-sulfonylbenzamide (CID 122601326) is 5-chloro-4-(2-cyclopropylethoxy)-2-fluoro-N-sulfonylbenzamide.
What is the SMILES notation for 5-chloro-4-(2-cyclopropylethoxy)-2-fluoro-N-sulfonylbenzamide?
The canonical SMILES for 5-chloro-4-(2-cyclopropylethoxy)-2-fluoro-N-sulfonylbenzamide is O=C(N=S(=O)=O)c1cc(Cl)c(OCCC2CC2)cc1F.
What is the InChIKey of 5-chloro-4-(2-cyclopropylethoxy)-2-fluoro-N-sulfonylbenzamide?
The InChIKey is PWJBIPQHGADGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNO4S/c13-9-5-8(12(16)15-20(17)18)10(14)6-11(9)19-4-3-7-1-2-7/h5-7H,1-4H2.
What are the key properties of 5-chloro-4-(2-cyclopropylethoxy)-2-fluoro-N-sulfonylbenzamide?
5-chloro-4-(2-cyclopropylethoxy)-2-fluoro-N-sulfonylbenzamide has a molecular weight of 319.74 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2-cyclopropylethoxy)-2-fluoro-N-sulfonylbenzamide is sourced from PubChem (CID 122601326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).