cis-(1S,2S)-2-[2,3-diethoxy-6-fluoro-4-[(1S)-1-fluoroethoxy]-5-(2-fluoro-4-iodoanilino)phenyl]-1-[(2S)-2,3-dihydroxypropyl]cyclopropane-1-sulfonamide

C24H30F3IN2O7S — CID 140562671

IUPACcis-(1S,2S)-2-[2,3-diethoxy-6-fluoro-4-[(1S)-1-fluoroethoxy]-5-(2-fluoro-4-iodoanilino)phenyl]-1-[(2S)-2,3-dihydroxypropyl]cyclopropane-1-sulfonamide
SMILESCCOc1c(O[C@H](C)F)c(Nc2ccc(I)cc2F)c(F)c([C@@H]2C[C@@]2(C[C@H](O)CO)S(N)(=O)=O)c1OCC
InChIInChI=1S/C24H30F3IN2O7S/c1-4-35-21-18(15-10-24(15,38(29,33)34)9-14(32)11-31)19(27)20(22(37-12(3)25)23(21)36-5-2)30-17-7-6-13(28)8-16(17)26/h6-8,12,14-15,30-32H,4-5,9-11H2,1-3H3,(H2,29,33,34)/t12-,14+,15+,24-/m1/s1
InChIKeyYVCHBWXJFLOBOW-OOSDAOAZSA-N
MW674.48 g/mol
LogP4.06
Rot. Bonds13

About cis-(1S,2S)-2-[2,3-diethoxy-6-fluoro-4-[(1S)-1-fluoroethoxy]-5-(2-fluoro-4-iodoanilino)phenyl]-1-[(2S)-2,3-dihydroxypropyl]cyclopropane-1-sulfonamide

cis-(1S,2S)-2-[2,3-diethoxy-6-fluoro-4-[(1S)-1-fluoroethoxy]-5-(2-fluoro-4-iodoanilino)phenyl]-1-[(2S)-2,3-dihydroxypropyl]cyclopropane-1-sulfonamide (PubChem CID 140562671) has the molecular formula C24H30F3IN2O7S and a molecular weight of 674.48 g/mol. Its IUPAC name is cis-(1S,2S)-2-[2,3-diethoxy-6-fluoro-4-[(1S)-1-fluoroethoxy]-5-(2-fluoro-4-iodoanilino)phenyl]-1-[(2S)-2,3-dihydroxypropyl]cyclopropane-1-sulfonamide.

Molecular Properties

Compound Namecis-(1S,2S)-2-[2,3-diethoxy-6-fluoro-4-[(1S)-1-fluoroethoxy]-5-(2-fluoro-4-iodoanilino)phenyl]-1-[(2S)-2,3-dihydroxypropyl]cyclopropane-1-sulfonamide
PubChem CID140562671
Molecular FormulaC24H30F3IN2O7S
Molecular Weight674.48 g/mol
Exact Mass674.08
IUPAC Namecis-(1S,2S)-2-[2,3-diethoxy-6-fluoro-4-[(1S)-1-fluoroethoxy]-5-(2-fluoro-4-iodoanilino)phenyl]-1-[(2S)-2,3-dihydroxypropyl]cyclopropane-1-sulfonamide
SMILESCCOc1c(O[C@H](C)F)c(Nc2ccc(I)cc2F)c(F)c([C@@H]2C[C@@]2(C[C@H](O)CO)S(N)(=O)=O)c1OCC
InChIInChI=1S/C24H30F3IN2O7S/c1-4-35-21-18(15-10-24(15,38(29,33)34)9-14(32)11-31)19(27)20(22(37-12(3)25)23(21)36-5-2)30-17-7-6-13(28)8-16(17)26/h6-8,12,14-15,30-32H,4-5,9-11H2,1-3H3,(H2,29,33,34)/t12-,14+,15+,24-/m1/s1
InChIKeyYVCHBWXJFLOBOW-OOSDAOAZSA-N
XLogP4.06
TPSA140.34 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500674.48
LogP ≤ 54.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze cis-(1S,2S)-2-[2,3-diethoxy-6-fluoro-4-[(1S)-1-fluoroethoxy]-5-(2-fluoro-4-iodoanilino)phenyl]-1-[(2S)-2,3-dihydroxypropyl]cyclopropane-1-sulfonamide 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

N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)-5-methoxyphenyl]-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfonamide
CID 140618193
N-[4,5-difluoro-6-(2-fluoro-4-iodoanilino)-1-benzofuran-7-yl]-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfonamide
CID 53241675
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-[3,6-difluoro-2-(2-fluoro-4-iodoanilino)-4-methoxyphenyl]-5,6-dihydroxy-3-methylhexane-3-sulfonamide
CID 88960595
5-chloro-3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxybutoxy)benzamide
CID 22271671
1-[(2S)-2,3-dihydroxypropyl]-N-[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfonamide
CID 46916360
N-[1-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)-6-methoxyphenyl]-2,3-dihydroxypropyl]cyclopropanesulfonamide
CID 140562670
2-[1-[[3,4-difluoro-2-(2-fluoro-4-iodoanilino)-6-methoxyphenyl]sulfamoylamino]cyclopropyl]ethanol
CID 24765441
5-acetyl-N-(2,3-dihydroxypropoxy)-4-fluoro-2-(2-fluoro-4-iodoanilino)-1-methylpyrrole-3-carboxamide
CID 74403119
N-(2,3-dihydroxypropyl)-3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzamide
CID 175276663
3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-(3-hydroxypentoxy)benzamide
CID 22286512
N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)-6-methoxy-5-methylphenyl]cyclobutanesulfonamide
CID 163679019

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-[2,3-diethoxy-6-fluoro-4-[(1S)-1-fluoroethoxy]-5-(2-fluoro-4-iodoanilino)phenyl]-1-[(2S)-2,3-dihydroxypropyl]cyclopropane-1-sulfonamide?
The IUPAC name of cis-(1S,2S)-2-[2,3-diethoxy-6-fluoro-4-[(1S)-1-fluoroethoxy]-5-(2-fluoro-4-iodoanilino)phenyl]-1-[(2S)-2,3-dihydroxypropyl]cyclopropane-1-sulfonamide (CID 140562671) is cis-(1S,2S)-2-[2,3-diethoxy-6-fluoro-4-[(1S)-1-fluoroethoxy]-5-(2-fluoro-4-iodoanilino)phenyl]-1-[(2S)-2,3-dihydroxypropyl]cyclopropane-1-sulfonamide.
What is the SMILES notation for cis-(1S,2S)-2-[2,3-diethoxy-6-fluoro-4-[(1S)-1-fluoroethoxy]-5-(2-fluoro-4-iodoanilino)phenyl]-1-[(2S)-2,3-dihydroxypropyl]cyclopropane-1-sulfonamide?
The canonical SMILES for cis-(1S,2S)-2-[2,3-diethoxy-6-fluoro-4-[(1S)-1-fluoroethoxy]-5-(2-fluoro-4-iodoanilino)phenyl]-1-[(2S)-2,3-dihydroxypropyl]cyclopropane-1-sulfonamide is CCOc1c(O[C@H](C)F)c(Nc2ccc(I)cc2F)c(F)c([C@@H]2C[C@@]2(C[C@H](O)CO)S(N)(=O)=O)c1OCC.
What is the InChIKey of cis-(1S,2S)-2-[2,3-diethoxy-6-fluoro-4-[(1S)-1-fluoroethoxy]-5-(2-fluoro-4-iodoanilino)phenyl]-1-[(2S)-2,3-dihydroxypropyl]cyclopropane-1-sulfonamide?
The InChIKey is YVCHBWXJFLOBOW-OOSDAOAZSA-N. The full InChI is InChI=1S/C24H30F3IN2O7S/c1-4-35-21-18(15-10-24(15,38(29,33)34)9-14(32)11-31)19(27)20(22(37-12(3)25)23(21)36-5-2)30-17-7-6-13(28)8-16(17)26/h6-8,12,14-15,30-32H,4-5,9-11H2,1-3H3,(H2,29,33,34)/t12-,14+,15+,24-/m1/s1.
What are the key properties of cis-(1S,2S)-2-[2,3-diethoxy-6-fluoro-4-[(1S)-1-fluoroethoxy]-5-(2-fluoro-4-iodoanilino)phenyl]-1-[(2S)-2,3-dihydroxypropyl]cyclopropane-1-sulfonamide?
cis-(1S,2S)-2-[2,3-diethoxy-6-fluoro-4-[(1S)-1-fluoroethoxy]-5-(2-fluoro-4-iodoanilino)phenyl]-1-[(2S)-2,3-dihydroxypropyl]cyclopropane-1-sulfonamide has a molecular weight of 674.48 g/mol, XLogP of 4.06, 13 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-[2,3-diethoxy-6-fluoro-4-[(1S)-1-fluoroethoxy]-5-(2-fluoro-4-iodoanilino)phenyl]-1-[(2S)-2,3-dihydroxypropyl]cyclopropane-1-sulfonamide is sourced from PubChem (CID 140562671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).