1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]phenyl]cyclopropane-1-sulfonamide

C24H31F3INO3SSi — CID 58133010

IUPAC1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]phenyl]cyclopropane-1-sulfonamide
SMILESCC(C)(C)[Si](C)(C)OCCC1(S(=O)(=O)Nc2ccc(F)c(F)c2Cc2ccc(I)cc2F)CC1
InChIInChI=1S/C24H31F3INO3SSi/c1-23(2,3)34(4,5)32-13-12-24(10-11-24)33(30,31)29-21-9-8-19(25)22(27)18(21)14-16-6-7-17(28)15-20(16)26/h6-9,15,29H,10-14H2,1-5H3
InChIKeyIDYSORDFUIVQEP-UHFFFAOYSA-N
MW625.57 g/mol
LogP6.99
Rot. Bonds9

About 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]phenyl]cyclopropane-1-sulfonamide

1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]phenyl]cyclopropane-1-sulfonamide (PubChem CID 58133010) has the molecular formula C24H31F3INO3SSi and a molecular weight of 625.57 g/mol. Its IUPAC name is 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]phenyl]cyclopropane-1-sulfonamide.

Molecular Properties

Compound Name1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]phenyl]cyclopropane-1-sulfonamide
PubChem CID58133010
Molecular FormulaC24H31F3INO3SSi
Molecular Weight625.57 g/mol
Exact Mass625.08
IUPAC Name1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]phenyl]cyclopropane-1-sulfonamide
SMILESCC(C)(C)[Si](C)(C)OCCC1(S(=O)(=O)Nc2ccc(F)c(F)c2Cc2ccc(I)cc2F)CC1
InChIInChI=1S/C24H31F3INO3SSi/c1-23(2,3)34(4,5)32-13-12-24(10-11-24)33(30,31)29-21-9-8-19(25)22(27)18(21)14-16-6-7-17(28)15-20(16)26/h6-9,15,29H,10-14H2,1-5H3
InChIKeyIDYSORDFUIVQEP-UHFFFAOYSA-N
XLogP6.99
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.57
LogP ≤ 56.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]cyclopropane-1-sulfonamide
CID 59386361
1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[7-chloro-6-[(2-fluoro-4-iodophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-5-yl]cyclopropane-1-sulfonamide
CID 59636580
1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[7-chloro-6-(2-fluoro-4-iodophenyl)imino-3-methyl-7,7a-dihydro-3aH-imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-sulfonamide
CID 90863710
N-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]phenyl]-2,5-dimethylfuran-3-sulfonamide
CID 58133015
N-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]phenyl]piperidine-4-sulfonamide
CID 58133055
N-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]phenyl]-2-[2-(dimethylamino)ethylamino]ethanesulfonamide
CID 58133059
N-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]-6-methoxyphenyl]-1-[(2R)-2-hydroxybutyl]cyclopropane-1-sulfonamide
CID 162165267
3-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropyl]sulfonyl-1-(2-fluoro-4-iodophenyl)-5,7-dimethylimidazo[4,5-c]pyridine-2,6-dione
CID 58259974
[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]phenyl]-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 58222272
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-methylphenyl)methyl]phenyl]methanesulfonamide
CID 160737996
4-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropyl]sulfonyl-8-chloro-6-(2-fluoro-4-iodophenyl)-12-methyl-2,4,6,10,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),8,10-tetraen-5-one
CID 59519430

Frequently Asked Questions

What is the IUPAC name of 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]phenyl]cyclopropane-1-sulfonamide?
The IUPAC name of 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]phenyl]cyclopropane-1-sulfonamide (CID 58133010) is 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]phenyl]cyclopropane-1-sulfonamide.
What is the SMILES notation for 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]phenyl]cyclopropane-1-sulfonamide?
The canonical SMILES for 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]phenyl]cyclopropane-1-sulfonamide is CC(C)(C)[Si](C)(C)OCCC1(S(=O)(=O)Nc2ccc(F)c(F)c2Cc2ccc(I)cc2F)CC1.
What is the InChIKey of 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]phenyl]cyclopropane-1-sulfonamide?
The InChIKey is IDYSORDFUIVQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31F3INO3SSi/c1-23(2,3)34(4,5)32-13-12-24(10-11-24)33(30,31)29-21-9-8-19(25)22(27)18(21)14-16-6-7-17(28)15-20(16)26/h6-9,15,29H,10-14H2,1-5H3.
What are the key properties of 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]phenyl]cyclopropane-1-sulfonamide?
1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]phenyl]cyclopropane-1-sulfonamide has a molecular weight of 625.57 g/mol, XLogP of 6.99, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]phenyl]cyclopropane-1-sulfonamide is sourced from PubChem (CID 58133010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).