2-(2,4-dichlorophenyl)-N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]cyclopropane-1-sulfonamide

C21H14Cl2F3IN2O2S — CID 70828478

IUPAC2-(2,4-dichlorophenyl)-N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]cyclopropane-1-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(F)c1Nc1ccc(I)cc1F)C1CC1c1ccc(Cl)cc1Cl
InChIInChI=1S/C21H14Cl2F3IN2O2S/c22-10-1-3-12(14(23)7-10)13-9-19(13)32(30,31)29-18-6-4-15(24)20(26)21(18)28-17-5-2-11(27)8-16(17)25/h1-8,13,19,28-29H,9H2
InChIKeySNNWMJZTKHAQLW-UHFFFAOYSA-N
MW613.23 g/mol
LogP7.06
Rot. Bonds6

About 2-(2,4-dichlorophenyl)-N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]cyclopropane-1-sulfonamide

2-(2,4-dichlorophenyl)-N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]cyclopropane-1-sulfonamide (PubChem CID 70828478) has the molecular formula C21H14Cl2F3IN2O2S and a molecular weight of 613.23 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]cyclopropane-1-sulfonamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]cyclopropane-1-sulfonamide
PubChem CID70828478
Molecular FormulaC21H14Cl2F3IN2O2S
Molecular Weight613.23 g/mol
Exact Mass611.91
IUPAC Name2-(2,4-dichlorophenyl)-N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]cyclopropane-1-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(F)c1Nc1ccc(I)cc1F)C1CC1c1ccc(Cl)cc1Cl
InChIInChI=1S/C21H14Cl2F3IN2O2S/c22-10-1-3-12(14(23)7-10)13-9-19(13)32(30,31)29-18-6-4-15(24)20(26)21(18)28-17-5-2-11(27)8-16(17)25/h1-8,13,19,28-29H,9H2
InChIKeySNNWMJZTKHAQLW-UHFFFAOYSA-N
XLogP7.06
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.23
LogP ≤ 57.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[3,4-difluoro-2-(4-iodo-2-methylanilino)phenyl]cyclopentanesulfonamide
CID 143399893
N-[2-(2-chloro-4-iodoanilino)-3,4-difluorophenyl]-4-methylpiperazine-1-sulfonamide
CID 11432705
N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]thiophene-3-sulfonamide
CID 53492223
2-(4-chlorophenyl)-N-[2-(2-fluoro-4-iodoanilino)-4-methoxy-1-methyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfonamide
CID 70828376
N-[2-(4-cyano-2-fluoroanilino)-3,4-difluorophenyl]cyclopropanesulfonamide
CID 59386353
4-acetyl-N-[2-(2-chloro-4-iodoanilino)-3,4-difluorophenyl]piperazine-1-sulfonamide
CID 11238466
N-[2-[4-(4-aminophenyl)-2-fluoroanilino]-3,4-difluorophenyl]cyclopropanesulfonamide
CID 89144911
N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-N-methylcyclopropanesulfonamide
CID 53492153
N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-2,5-dimethylfuran-3-sulfonamide
CID 53492157
1,2-difluoro-3-(2-fluoro-4-iodoanilino)-4-[[methyl-[2-(methylamino)ethyl]sulfamoyl]amino]benzene
CID 11591614
4-bromo-N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]thiophene-3-sulfonamide
CID 53492429
3,4-difluoro-2-N-(2-fluoro-4-iodophenyl)benzene-1,2-diamine
CID 59386306

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]cyclopropane-1-sulfonamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]cyclopropane-1-sulfonamide (CID 70828478) is 2-(2,4-dichlorophenyl)-N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]cyclopropane-1-sulfonamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]cyclopropane-1-sulfonamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]cyclopropane-1-sulfonamide is O=S(=O)(Nc1ccc(F)c(F)c1Nc1ccc(I)cc1F)C1CC1c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]cyclopropane-1-sulfonamide?
The InChIKey is SNNWMJZTKHAQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2F3IN2O2S/c22-10-1-3-12(14(23)7-10)13-9-19(13)32(30,31)29-18-6-4-15(24)20(26)21(18)28-17-5-2-11(27)8-16(17)25/h1-8,13,19,28-29H,9H2.
What are the key properties of 2-(2,4-dichlorophenyl)-N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]cyclopropane-1-sulfonamide?
2-(2,4-dichlorophenyl)-N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]cyclopropane-1-sulfonamide has a molecular weight of 613.23 g/mol, XLogP of 7.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]cyclopropane-1-sulfonamide is sourced from PubChem (CID 70828478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).