N-(3-chloro-4-cyanophenyl)-3-(2-fluorophenyl)sulfonylpropanamide

C16H12ClFN2O3S — CID 9456250

IUPACN-(3-chloro-4-cyanophenyl)-3-(2-fluorophenyl)sulfonylpropanamide
SMILESN#Cc1ccc(NC(=O)CCS(=O)(=O)c2ccccc2F)cc1Cl
InChIInChI=1S/C16H12ClFN2O3S/c17-13-9-12(6-5-11(13)10-19)20-16(21)7-8-24(22,23)15-4-2-1-3-14(15)18/h1-6,9H,7-8H2,(H,20,21)
InChIKeyCNDFXEBSGLFOQB-UHFFFAOYSA-N
MW366.80 g/mol
LogP3.15
Rot. Bonds5

About N-(3-chloro-4-cyanophenyl)-3-(2-fluorophenyl)sulfonylpropanamide

N-(3-chloro-4-cyanophenyl)-3-(2-fluorophenyl)sulfonylpropanamide (PubChem CID 9456250) has the molecular formula C16H12ClFN2O3S and a molecular weight of 366.80 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-3-(2-fluorophenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-3-(2-fluorophenyl)sulfonylpropanamide
PubChem CID9456250
Molecular FormulaC16H12ClFN2O3S
Molecular Weight366.80 g/mol
Exact Mass366.02
IUPAC NameN-(3-chloro-4-cyanophenyl)-3-(2-fluorophenyl)sulfonylpropanamide
SMILESN#Cc1ccc(NC(=O)CCS(=O)(=O)c2ccccc2F)cc1Cl
InChIInChI=1S/C16H12ClFN2O3S/c17-13-9-12(6-5-11(13)10-19)20-16(21)7-8-24(22,23)15-4-2-1-3-14(15)18/h1-6,9H,7-8H2,(H,20,21)
InChIKeyCNDFXEBSGLFOQB-UHFFFAOYSA-N
XLogP3.15
TPSA87.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.80
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-cyanophenyl)-2-(2-hydroxyphenyl)acetamide
CID 80741182
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 2-methylsulfonylbenzoate
CID 7724580
N-(3-chloro-4-fluorophenyl)-2-(2-cyanoanilino)acetamide
CID 109008740
N-(3-chloro-4-cyanophenyl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetamide
CID 2086316
N-(3-chloro-4-cyanophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24534784
3-(3-chloro-4-fluoroanilino)-N-(2-cyanophenyl)propanamide
CID 109038857
3-(benzenesulfonyl)-N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]propanamide
CID 110305568
2-chloro-4-[2-(2-fluorophenyl)ethylamino]benzonitrile
CID 55133882
N-(3-chloro-4-cyanophenyl)-2-(3,4-dichlorophenyl)acetamide
CID 2448530
2-(2-aminoethoxy)-N-(3-chloro-4-cyanophenyl)acetamide
CID 79463983
3-(benzenesulfonyl)-N-(3-chloro-4-methylphenyl)propanamide
CID 17310097
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-chloro-4-cyanophenyl)acetamide
CID 9104928

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-3-(2-fluorophenyl)sulfonylpropanamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-3-(2-fluorophenyl)sulfonylpropanamide (CID 9456250) is N-(3-chloro-4-cyanophenyl)-3-(2-fluorophenyl)sulfonylpropanamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-3-(2-fluorophenyl)sulfonylpropanamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-3-(2-fluorophenyl)sulfonylpropanamide is N#Cc1ccc(NC(=O)CCS(=O)(=O)c2ccccc2F)cc1Cl.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-3-(2-fluorophenyl)sulfonylpropanamide?
The InChIKey is CNDFXEBSGLFOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2O3S/c17-13-9-12(6-5-11(13)10-19)20-16(21)7-8-24(22,23)15-4-2-1-3-14(15)18/h1-6,9H,7-8H2,(H,20,21).
What are the key properties of N-(3-chloro-4-cyanophenyl)-3-(2-fluorophenyl)sulfonylpropanamide?
N-(3-chloro-4-cyanophenyl)-3-(2-fluorophenyl)sulfonylpropanamide has a molecular weight of 366.80 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-3-(2-fluorophenyl)sulfonylpropanamide is sourced from PubChem (CID 9456250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).