N-[6-ethoxy-3,4-difluoro-2-(4-fluoro-2-iodoanilino)phenyl]cyclopropanesulfonamide

C17H16F3IN2O3S — CID 87100810

IUPACN-[6-ethoxy-3,4-difluoro-2-(4-fluoro-2-iodoanilino)phenyl]cyclopropanesulfonamide
SMILESCCOc1cc(F)c(F)c(Nc2ccc(F)cc2I)c1NS(=O)(=O)C1CC1
InChIInChI=1S/C17H16F3IN2O3S/c1-2-26-14-8-11(19)15(20)17(16(14)23-27(24,25)10-4-5-10)22-13-6-3-9(18)7-12(13)21/h3,6-8,10,22-23H,2,4-5H2,1H3
InChIKeyKPUFBHNWKRJCPC-UHFFFAOYSA-N
MW512.29 g/mol
LogP4.75
Rot. Bonds7

About N-[6-ethoxy-3,4-difluoro-2-(4-fluoro-2-iodoanilino)phenyl]cyclopropanesulfonamide

N-[6-ethoxy-3,4-difluoro-2-(4-fluoro-2-iodoanilino)phenyl]cyclopropanesulfonamide (PubChem CID 87100810) has the molecular formula C17H16F3IN2O3S and a molecular weight of 512.29 g/mol. Its IUPAC name is N-[6-ethoxy-3,4-difluoro-2-(4-fluoro-2-iodoanilino)phenyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[6-ethoxy-3,4-difluoro-2-(4-fluoro-2-iodoanilino)phenyl]cyclopropanesulfonamide
PubChem CID87100810
Molecular FormulaC17H16F3IN2O3S
Molecular Weight512.29 g/mol
Exact Mass511.99
IUPAC NameN-[6-ethoxy-3,4-difluoro-2-(4-fluoro-2-iodoanilino)phenyl]cyclopropanesulfonamide
SMILESCCOc1cc(F)c(F)c(Nc2ccc(F)cc2I)c1NS(=O)(=O)C1CC1
InChIInChI=1S/C17H16F3IN2O3S/c1-2-26-14-8-11(19)15(20)17(16(14)23-27(24,25)10-4-5-10)22-13-6-3-9(18)7-12(13)21/h3,6-8,10,22-23H,2,4-5H2,1H3
InChIKeyKPUFBHNWKRJCPC-UHFFFAOYSA-N
XLogP4.75
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.29
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-ethyl-2-fluoroanilino)-3,4-difluoro-6-methoxyphenyl]cyclopropanesulfonamide
CID 123434942
5-(cyclopropylsulfonylamino)-2-ethoxybenzenesulfonyl chloride
CID 64552205
N-[3,4-difluoro-2-(4-iodo-2-methylanilino)phenyl]cyclopentanesulfonamide
CID 143399893
N-[2-(aminomethyl)-4-fluorophenyl]cyclopropanesulfonamide
CID 82014016
2-(cyclopropylsulfonylamino)-N-(2-ethoxyphenyl)benzamide
CID 71598556
N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)-6-methoxy-5-methylphenyl]cyclobutanesulfonamide
CID 163679019
2-ethoxy-5-fluoro-N-methylaniline
CID 82268266
5-bromo-N-(2,4-difluorophenyl)-2-ethoxybenzenesulfonamide
CID 2488065
N-[1-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)-6-methoxyphenyl]-2,3-dihydroxypropyl]cyclopropanesulfonamide
CID 140562670
2-ethoxy-4-fluoro-N-(2-methylsulfonylcyclopentyl)aniline
CID 65044191
3,4-difluoro-2-N-(2-fluoro-4-iodophenyl)-6-methoxy-1-N-[(1-methylcyclopropyl)sulfamoyl]benzene-1,2-diamine
CID 24765524
ethane;1-ethoxy-2,4-difluorobenzene
CID 142043713

Frequently Asked Questions

What is the IUPAC name of N-[6-ethoxy-3,4-difluoro-2-(4-fluoro-2-iodoanilino)phenyl]cyclopropanesulfonamide?
The IUPAC name of N-[6-ethoxy-3,4-difluoro-2-(4-fluoro-2-iodoanilino)phenyl]cyclopropanesulfonamide (CID 87100810) is N-[6-ethoxy-3,4-difluoro-2-(4-fluoro-2-iodoanilino)phenyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[6-ethoxy-3,4-difluoro-2-(4-fluoro-2-iodoanilino)phenyl]cyclopropanesulfonamide?
The canonical SMILES for N-[6-ethoxy-3,4-difluoro-2-(4-fluoro-2-iodoanilino)phenyl]cyclopropanesulfonamide is CCOc1cc(F)c(F)c(Nc2ccc(F)cc2I)c1NS(=O)(=O)C1CC1.
What is the InChIKey of N-[6-ethoxy-3,4-difluoro-2-(4-fluoro-2-iodoanilino)phenyl]cyclopropanesulfonamide?
The InChIKey is KPUFBHNWKRJCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3IN2O3S/c1-2-26-14-8-11(19)15(20)17(16(14)23-27(24,25)10-4-5-10)22-13-6-3-9(18)7-12(13)21/h3,6-8,10,22-23H,2,4-5H2,1H3.
What are the key properties of N-[6-ethoxy-3,4-difluoro-2-(4-fluoro-2-iodoanilino)phenyl]cyclopropanesulfonamide?
N-[6-ethoxy-3,4-difluoro-2-(4-fluoro-2-iodoanilino)phenyl]cyclopropanesulfonamide has a molecular weight of 512.29 g/mol, XLogP of 4.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-ethoxy-3,4-difluoro-2-(4-fluoro-2-iodoanilino)phenyl]cyclopropanesulfonamide is sourced from PubChem (CID 87100810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).