3,4-difluoro-2-N-(2-fluoro-4-iodophenyl)-6-methoxy-1-N-[(1-methylcyclopropyl)sulfamoyl]benzene-1,2-diamine

C17H17F3IN3O3S — CID 24765524

IUPAC3,4-difluoro-2-N-(2-fluoro-4-iodophenyl)-6-methoxy-1-N-[(1-methylcyclopropyl)sulfamoyl]benzene-1,2-diamine
SMILESCOc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)NC1(C)CC1
InChIInChI=1S/C17H17F3IN3O3S/c1-17(5-6-17)24-28(25,26)23-15-13(27-2)8-11(19)14(20)16(15)22-12-4-3-9(21)7-10(12)18/h3-4,7-8,22-24H,5-6H2,1-2H3
InChIKeySPGXAPLNLYEADZ-UHFFFAOYSA-N
MW527.31 g/mol
LogP4.26
Rot. Bonds7

About 3,4-difluoro-2-N-(2-fluoro-4-iodophenyl)-6-methoxy-1-N-[(1-methylcyclopropyl)sulfamoyl]benzene-1,2-diamine

3,4-difluoro-2-N-(2-fluoro-4-iodophenyl)-6-methoxy-1-N-[(1-methylcyclopropyl)sulfamoyl]benzene-1,2-diamine (PubChem CID 24765524) has the molecular formula C17H17F3IN3O3S and a molecular weight of 527.31 g/mol. Its IUPAC name is 3,4-difluoro-2-N-(2-fluoro-4-iodophenyl)-6-methoxy-1-N-[(1-methylcyclopropyl)sulfamoyl]benzene-1,2-diamine.

Molecular Properties

Compound Name3,4-difluoro-2-N-(2-fluoro-4-iodophenyl)-6-methoxy-1-N-[(1-methylcyclopropyl)sulfamoyl]benzene-1,2-diamine
PubChem CID24765524
Molecular FormulaC17H17F3IN3O3S
Molecular Weight527.31 g/mol
Exact Mass527.00
IUPAC Name3,4-difluoro-2-N-(2-fluoro-4-iodophenyl)-6-methoxy-1-N-[(1-methylcyclopropyl)sulfamoyl]benzene-1,2-diamine
SMILESCOc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)NC1(C)CC1
InChIInChI=1S/C17H17F3IN3O3S/c1-17(5-6-17)24-28(25,26)23-15-13(27-2)8-11(19)14(20)16(15)22-12-4-3-9(21)7-10(12)18/h3-4,7-8,22-24H,5-6H2,1-2H3
InChIKeySPGXAPLNLYEADZ-UHFFFAOYSA-N
XLogP4.26
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.31
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,4-difluoro-2-N-(2-fluoro-4-iodophenyl)-6-methoxy-1-N-[(1-methylcyclopropyl)sulfamoyl]benzene-1,2-diamine 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

2-[1-[[3,4-difluoro-2-(2-fluoro-4-iodoanilino)-6-methoxyphenyl]sulfamoylamino]cyclopropyl]ethanol
CID 24765441
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
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
3,4-difluoro-2-(2-fluoro-4-iodoanilino)-5-[[2-fluoro-3-[(1-methylcyclobutyl)sulfamoylamino]phenyl]methyl]-N-methoxybenzamide
CID 156808854
N-[2-(4-ethyl-2-fluoroanilino)-3,4-difluoro-6-methoxyphenyl]cyclopropanesulfonamide
CID 123434942
N-[3,4-difluoro-2-(2-fluoro-4-methylanilino)-6-methoxyphenyl]-1-prop-2-enylcyclopropane-1-sulfonamide
CID 118411308
N-[3,4-difluoro-2-(2-fluoro-4-methylanilino)-6-methoxyphenyl]-1-(3-hydroxypropyl)cyclopropane-1-sulfonamide;ethane
CID 143758036
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-iodoanilino)-6-methoxy-5-methylphenyl]cyclobutanesulfonamide
CID 163679019
3,4-difluoro-2-N-(2-fluoro-4-iodophenyl)benzene-1,2-diamine
CID 59386306
N-[3,6-difluoro-2-(2-fluoro-4-iodoanilino)-4-methoxyphenyl]-5,6-dihydroxy-3-methylhexane-3-sulfonamide
CID 88960595

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-2-N-(2-fluoro-4-iodophenyl)-6-methoxy-1-N-[(1-methylcyclopropyl)sulfamoyl]benzene-1,2-diamine?
The IUPAC name of 3,4-difluoro-2-N-(2-fluoro-4-iodophenyl)-6-methoxy-1-N-[(1-methylcyclopropyl)sulfamoyl]benzene-1,2-diamine (CID 24765524) is 3,4-difluoro-2-N-(2-fluoro-4-iodophenyl)-6-methoxy-1-N-[(1-methylcyclopropyl)sulfamoyl]benzene-1,2-diamine.
What is the SMILES notation for 3,4-difluoro-2-N-(2-fluoro-4-iodophenyl)-6-methoxy-1-N-[(1-methylcyclopropyl)sulfamoyl]benzene-1,2-diamine?
The canonical SMILES for 3,4-difluoro-2-N-(2-fluoro-4-iodophenyl)-6-methoxy-1-N-[(1-methylcyclopropyl)sulfamoyl]benzene-1,2-diamine is COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)NC1(C)CC1.
What is the InChIKey of 3,4-difluoro-2-N-(2-fluoro-4-iodophenyl)-6-methoxy-1-N-[(1-methylcyclopropyl)sulfamoyl]benzene-1,2-diamine?
The InChIKey is SPGXAPLNLYEADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3IN3O3S/c1-17(5-6-17)24-28(25,26)23-15-13(27-2)8-11(19)14(20)16(15)22-12-4-3-9(21)7-10(12)18/h3-4,7-8,22-24H,5-6H2,1-2H3.
What are the key properties of 3,4-difluoro-2-N-(2-fluoro-4-iodophenyl)-6-methoxy-1-N-[(1-methylcyclopropyl)sulfamoyl]benzene-1,2-diamine?
3,4-difluoro-2-N-(2-fluoro-4-iodophenyl)-6-methoxy-1-N-[(1-methylcyclopropyl)sulfamoyl]benzene-1,2-diamine has a molecular weight of 527.31 g/mol, XLogP of 4.26, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-2-N-(2-fluoro-4-iodophenyl)-6-methoxy-1-N-[(1-methylcyclopropyl)sulfamoyl]benzene-1,2-diamine is sourced from PubChem (CID 24765524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).