2-[1-[[3,4-difluoro-2-(2-fluoro-4-iodoanilino)-6-methoxyphenyl]sulfamoylamino]cyclopropyl]ethanol

C18H19F3IN3O4S — CID 24765441

IUPAC2-[1-[[3,4-difluoro-2-(2-fluoro-4-iodoanilino)-6-methoxyphenyl]sulfamoylamino]cyclopropyl]ethanol
SMILESCOc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)NC1(CCO)CC1
InChIInChI=1S/C18H19F3IN3O4S/c1-29-14-9-12(20)15(21)17(23-13-3-2-10(22)8-11(13)19)16(14)24-30(27,28)25-18(4-5-18)6-7-26/h2-3,8-9,23-26H,4-7H2,1H3
InChIKeyMIUKHYIMZSBSAU-UHFFFAOYSA-N
MW557.33 g/mol
LogP3.62
Rot. Bonds9

About 2-[1-[[3,4-difluoro-2-(2-fluoro-4-iodoanilino)-6-methoxyphenyl]sulfamoylamino]cyclopropyl]ethanol

2-[1-[[3,4-difluoro-2-(2-fluoro-4-iodoanilino)-6-methoxyphenyl]sulfamoylamino]cyclopropyl]ethanol (PubChem CID 24765441) has the molecular formula C18H19F3IN3O4S and a molecular weight of 557.33 g/mol. Its IUPAC name is 2-[1-[[3,4-difluoro-2-(2-fluoro-4-iodoanilino)-6-methoxyphenyl]sulfamoylamino]cyclopropyl]ethanol.

Molecular Properties

Compound Name2-[1-[[3,4-difluoro-2-(2-fluoro-4-iodoanilino)-6-methoxyphenyl]sulfamoylamino]cyclopropyl]ethanol
PubChem CID24765441
Molecular FormulaC18H19F3IN3O4S
Molecular Weight557.33 g/mol
Exact Mass557.01
IUPAC Name2-[1-[[3,4-difluoro-2-(2-fluoro-4-iodoanilino)-6-methoxyphenyl]sulfamoylamino]cyclopropyl]ethanol
SMILESCOc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)NC1(CCO)CC1
InChIInChI=1S/C18H19F3IN3O4S/c1-29-14-9-12(20)15(21)17(23-13-3-2-10(22)8-11(13)19)16(14)24-30(27,28)25-18(4-5-18)6-7-26/h2-3,8-9,23-26H,4-7H2,1H3
InChIKeyMIUKHYIMZSBSAU-UHFFFAOYSA-N
XLogP3.62
TPSA99.69 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500557.33
LogP ≤ 53.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[1-[[3,4-difluoro-2-(2-fluoro-4-iodoanilino)-6-methoxyphenyl]sulfamoylamino]cyclopropyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-difluoro-2-N-(2-fluoro-4-iodophenyl)-6-methoxy-1-N-[(1-methylcyclopropyl)sulfamoyl]benzene-1,2-diamine
CID 24765524
2-N-[(1-but-3-enylcyclopropyl)sulfamoyl]-4,5-difluoro-3-N-(2-fluoro-4-iodophenyl)-1-N-methylbenzene-1,2,3-triamine
CID 24765357
N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)-6-methoxyphenyl]-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfonamide;N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)-6-methoxyphenyl]-1-prop-2-enylcyclopropane-1-sulfonamide
CID 87559481
N-[3,4-difluoro-2-(2-fluoro-4-methylanilino)-6-methoxyphenyl]-1-(3-hydroxypropyl)cyclopropane-1-sulfonamide;ethane
CID 143758036
N-[2-(4-ethyl-2-fluoroanilino)-3,4-difluoro-6-methoxyphenyl]cyclopropanesulfonamide
CID 123434942
N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)-5-methoxyphenyl]-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfonamide
CID 140618193
N-[1-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)-6-methoxyphenyl]-2,3-dihydroxypropyl]cyclopropanesulfonamide
CID 140562670
N-[3,4-difluoro-2-(2-fluoro-4-methylanilino)-6-methoxyphenyl]-1-prop-2-enylcyclopropane-1-sulfonamide
CID 118411308
N-[3,6-difluoro-2-(2-fluoro-4-iodoanilino)-4-methoxyphenyl]-5,6-dihydroxy-3-methylhexane-3-sulfonamide
CID 88960595
N-[7-fluoro-6-(2-fluoro-4-iodoanilino)-3-methylbenzimidazol-5-yl]-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide
CID 25160469
N-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]-6-methoxyphenyl]-1-[(2R)-2-hydroxybutyl]cyclopropane-1-sulfonamide
CID 162165267
3-[1-[3-fluoro-2-(2-fluoro-4-methylanilino)-6-methoxy-4-phosphanylanilino]cyclopropyl]propan-1-ol;formaldehyde;methanol
CID 143879970

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[3,4-difluoro-2-(2-fluoro-4-iodoanilino)-6-methoxyphenyl]sulfamoylamino]cyclopropyl]ethanol?
The IUPAC name of 2-[1-[[3,4-difluoro-2-(2-fluoro-4-iodoanilino)-6-methoxyphenyl]sulfamoylamino]cyclopropyl]ethanol (CID 24765441) is 2-[1-[[3,4-difluoro-2-(2-fluoro-4-iodoanilino)-6-methoxyphenyl]sulfamoylamino]cyclopropyl]ethanol.
What is the SMILES notation for 2-[1-[[3,4-difluoro-2-(2-fluoro-4-iodoanilino)-6-methoxyphenyl]sulfamoylamino]cyclopropyl]ethanol?
The canonical SMILES for 2-[1-[[3,4-difluoro-2-(2-fluoro-4-iodoanilino)-6-methoxyphenyl]sulfamoylamino]cyclopropyl]ethanol is COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)NC1(CCO)CC1.
What is the InChIKey of 2-[1-[[3,4-difluoro-2-(2-fluoro-4-iodoanilino)-6-methoxyphenyl]sulfamoylamino]cyclopropyl]ethanol?
The InChIKey is MIUKHYIMZSBSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3IN3O4S/c1-29-14-9-12(20)15(21)17(23-13-3-2-10(22)8-11(13)19)16(14)24-30(27,28)25-18(4-5-18)6-7-26/h2-3,8-9,23-26H,4-7H2,1H3.
What are the key properties of 2-[1-[[3,4-difluoro-2-(2-fluoro-4-iodoanilino)-6-methoxyphenyl]sulfamoylamino]cyclopropyl]ethanol?
2-[1-[[3,4-difluoro-2-(2-fluoro-4-iodoanilino)-6-methoxyphenyl]sulfamoylamino]cyclopropyl]ethanol has a molecular weight of 557.33 g/mol, XLogP of 3.62, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[3,4-difluoro-2-(2-fluoro-4-iodoanilino)-6-methoxyphenyl]sulfamoylamino]cyclopropyl]ethanol is sourced from PubChem (CID 24765441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).