N-[2-(4-cyano-2-fluoroanilino)-3,4-difluorophenyl]cyclopropanesulfonamide

C16H12F3N3O2S — CID 59386353

IUPACN-[2-(4-cyano-2-fluoroanilino)-3,4-difluorophenyl]cyclopropanesulfonamide
SMILESN#Cc1ccc(Nc2c(NS(=O)(=O)C3CC3)ccc(F)c2F)c(F)c1
InChIInChI=1S/C16H12F3N3O2S/c17-11-4-6-14(22-25(23,24)10-2-3-10)16(15(11)19)21-13-5-1-9(8-20)7-12(13)18/h1,4-7,10,21-22H,2-3H2
InChIKeyZSAKPUUXSSZJMR-UHFFFAOYSA-N
MW367.35 g/mol
LogP3.62
Rot. Bonds5

About N-[2-(4-cyano-2-fluoroanilino)-3,4-difluorophenyl]cyclopropanesulfonamide

N-[2-(4-cyano-2-fluoroanilino)-3,4-difluorophenyl]cyclopropanesulfonamide (PubChem CID 59386353) has the molecular formula C16H12F3N3O2S and a molecular weight of 367.35 g/mol. Its IUPAC name is N-[2-(4-cyano-2-fluoroanilino)-3,4-difluorophenyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-cyano-2-fluoroanilino)-3,4-difluorophenyl]cyclopropanesulfonamide
PubChem CID59386353
Molecular FormulaC16H12F3N3O2S
Molecular Weight367.35 g/mol
Exact Mass367.06
IUPAC NameN-[2-(4-cyano-2-fluoroanilino)-3,4-difluorophenyl]cyclopropanesulfonamide
SMILESN#Cc1ccc(Nc2c(NS(=O)(=O)C3CC3)ccc(F)c2F)c(F)c1
InChIInChI=1S/C16H12F3N3O2S/c17-11-4-6-14(22-25(23,24)10-2-3-10)16(15(11)19)21-13-5-1-9(8-20)7-12(13)18/h1,4-7,10,21-22H,2-3H2
InChIKeyZSAKPUUXSSZJMR-UHFFFAOYSA-N
XLogP3.62
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.35
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(4-aminophenyl)-2-fluoroanilino]-3,4-difluorophenyl]cyclopropanesulfonamide
CID 89144911
N-[3,4-difluoro-2-[2-fluoro-4-(1H-pyrazol-5-yl)anilino]phenyl]cyclopropanesulfonamide
CID 59386340
N-(2-chloro-4-cyanophenyl)cyclopropanesulfonamide
CID 104693388
N-[2-(2,4-dimethylanilino)-3,4-difluorophenyl]cyclohexanesulfonamide
CID 143758056
N-[3,4-difluoro-2-(4-iodo-2-methylanilino)phenyl]cyclopentanesulfonamide
CID 143399893
N-(2-bromo-4-cyanophenyl)cyclopentanesulfonamide
CID 103580550
CID 89020280
CID 89020280
3,5-difluoro-4-(2,3,4-trifluoroanilino)benzonitrile
CID 81283820
2-(2,4-dichlorophenyl)-N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]cyclopropane-1-sulfonamide
CID 70828478
N-[3-(2-aminophenyl)-2-cyano-4-fluorophenyl]cyclopropanesulfonamide
CID 173248714
N-(2-cyano-4-fluorophenyl)cyclohexanesulfonamide
CID 82015241
N-[2-cyano-4-(trifluoromethyl)phenyl]cyclopropanesulfonamide
CID 112556198

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyano-2-fluoroanilino)-3,4-difluorophenyl]cyclopropanesulfonamide?
The IUPAC name of N-[2-(4-cyano-2-fluoroanilino)-3,4-difluorophenyl]cyclopropanesulfonamide (CID 59386353) is N-[2-(4-cyano-2-fluoroanilino)-3,4-difluorophenyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[2-(4-cyano-2-fluoroanilino)-3,4-difluorophenyl]cyclopropanesulfonamide?
The canonical SMILES for N-[2-(4-cyano-2-fluoroanilino)-3,4-difluorophenyl]cyclopropanesulfonamide is N#Cc1ccc(Nc2c(NS(=O)(=O)C3CC3)ccc(F)c2F)c(F)c1.
What is the InChIKey of N-[2-(4-cyano-2-fluoroanilino)-3,4-difluorophenyl]cyclopropanesulfonamide?
The InChIKey is ZSAKPUUXSSZJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O2S/c17-11-4-6-14(22-25(23,24)10-2-3-10)16(15(11)19)21-13-5-1-9(8-20)7-12(13)18/h1,4-7,10,21-22H,2-3H2.
What are the key properties of N-[2-(4-cyano-2-fluoroanilino)-3,4-difluorophenyl]cyclopropanesulfonamide?
N-[2-(4-cyano-2-fluoroanilino)-3,4-difluorophenyl]cyclopropanesulfonamide has a molecular weight of 367.35 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyano-2-fluoroanilino)-3,4-difluorophenyl]cyclopropanesulfonamide is sourced from PubChem (CID 59386353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).