2-(dimethylsulfamoylamino)-4-(2-iodo-1-triethylsilyloxyethyl)-1-phenylmethoxybenzene

C23H35IN2O4SSi — CID 18615149

IUPAC2-(dimethylsulfamoylamino)-4-(2-iodo-1-triethylsilyloxyethyl)-1-phenylmethoxybenzene
SMILESCC[Si](CC)(CC)OC(CI)c1ccc(OCc2ccccc2)c(NS(=O)(=O)N(C)C)c1
InChIInChI=1S/C23H35IN2O4SSi/c1-6-32(7-2,8-3)30-23(17-24)20-14-15-22(29-18-19-12-10-9-11-13-19)21(16-20)25-31(27,28)26(4)5/h9-16,23,25H,6-8,17-18H2,1-5H3
InChIKeyPLTHABUTJVTUMV-UHFFFAOYSA-N
MW590.60 g/mol
LogP5.98
Rot. Bonds13

About 2-(dimethylsulfamoylamino)-4-(2-iodo-1-triethylsilyloxyethyl)-1-phenylmethoxybenzene

2-(dimethylsulfamoylamino)-4-(2-iodo-1-triethylsilyloxyethyl)-1-phenylmethoxybenzene (PubChem CID 18615149) has the molecular formula C23H35IN2O4SSi and a molecular weight of 590.60 g/mol. Its IUPAC name is 2-(dimethylsulfamoylamino)-4-(2-iodo-1-triethylsilyloxyethyl)-1-phenylmethoxybenzene.

Molecular Properties

Compound Name2-(dimethylsulfamoylamino)-4-(2-iodo-1-triethylsilyloxyethyl)-1-phenylmethoxybenzene
PubChem CID18615149
Molecular FormulaC23H35IN2O4SSi
Molecular Weight590.60 g/mol
Exact Mass590.11
IUPAC Name2-(dimethylsulfamoylamino)-4-(2-iodo-1-triethylsilyloxyethyl)-1-phenylmethoxybenzene
SMILESCC[Si](CC)(CC)OC(CI)c1ccc(OCc2ccccc2)c(NS(=O)(=O)N(C)C)c1
InChIInChI=1S/C23H35IN2O4SSi/c1-6-32(7-2,8-3)30-23(17-24)20-14-15-22(29-18-19-12-10-9-11-13-19)21(16-20)25-31(27,28)26(4)5/h9-16,23,25H,6-8,17-18H2,1-5H3
InChIKeyPLTHABUTJVTUMV-UHFFFAOYSA-N
XLogP5.98
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.60
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-[2-[[2-[3-(dimethylsulfamoylamino)-4-phenylmethoxyphenyl]-2-triethylsilyloxyethyl]amino]ethoxy]-2,3,4,9-tetrahydro-1H-carbazole
CID 22111223
N-[5-[(1R)-2-[[(1R)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]amino]-1-triethylsilyloxyethyl]-2-phenylmethoxyphenyl]methanesulfonamide
CID 18662733
2-[3-(dimethylsulfamoylamino)-4-phenylmethoxybenzoyl]pyridine
CID 54319481
4-(2-bromoacetyl)-2-(dimethylsulfamoylamino)-1-phenylmethoxybenzene
CID 18615102
N-benzyl-N-[2-bromo-5-(2-iodo-1-triethylsilyloxyethyl)phenyl]methanesulfonamide
CID 70120038
3-[2-[[2-[3-(dimethylsulfamoylamino)-4-phenylmethoxyphenyl]-2-hydroxyethyl]amino]ethoxy]dibenzothiophene
CID 18615081
N-[2,5-bis(phenylmethoxy)phenyl]methanesulfonamide
CID 70516197
methyl 4-[(1R)-1-[[(1R)-2-[3-(methanesulfonamido)-4-phenylmethoxyphenyl]-1-triethylsilyloxyethyl]amino]-2-phenylethyl]benzoate
CID 139663762
N-[5-[(1R)-1-hydroxy-3-phenylpropyl]-2-phenylmethoxyphenyl]methanesulfonamide
CID 173182413
N-(5-formyl-2-phenylmethoxyphenyl)methanesulfonamide
CID 82096959
2-[[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[3-(methanesulfonamido)-4-phenylmethoxyphenyl]ethyl]amino]-2-(4-methoxyphenyl)acetic acid
CID 18661070
2-(dimethylsulfamoylamino)-1-methoxy-4-propan-2-ylbenzene
CID 110776791

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylsulfamoylamino)-4-(2-iodo-1-triethylsilyloxyethyl)-1-phenylmethoxybenzene?
The IUPAC name of 2-(dimethylsulfamoylamino)-4-(2-iodo-1-triethylsilyloxyethyl)-1-phenylmethoxybenzene (CID 18615149) is 2-(dimethylsulfamoylamino)-4-(2-iodo-1-triethylsilyloxyethyl)-1-phenylmethoxybenzene.
What is the SMILES notation for 2-(dimethylsulfamoylamino)-4-(2-iodo-1-triethylsilyloxyethyl)-1-phenylmethoxybenzene?
The canonical SMILES for 2-(dimethylsulfamoylamino)-4-(2-iodo-1-triethylsilyloxyethyl)-1-phenylmethoxybenzene is CC[Si](CC)(CC)OC(CI)c1ccc(OCc2ccccc2)c(NS(=O)(=O)N(C)C)c1.
What is the InChIKey of 2-(dimethylsulfamoylamino)-4-(2-iodo-1-triethylsilyloxyethyl)-1-phenylmethoxybenzene?
The InChIKey is PLTHABUTJVTUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35IN2O4SSi/c1-6-32(7-2,8-3)30-23(17-24)20-14-15-22(29-18-19-12-10-9-11-13-19)21(16-20)25-31(27,28)26(4)5/h9-16,23,25H,6-8,17-18H2,1-5H3.
What are the key properties of 2-(dimethylsulfamoylamino)-4-(2-iodo-1-triethylsilyloxyethyl)-1-phenylmethoxybenzene?
2-(dimethylsulfamoylamino)-4-(2-iodo-1-triethylsilyloxyethyl)-1-phenylmethoxybenzene has a molecular weight of 590.60 g/mol, XLogP of 5.98, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylsulfamoylamino)-4-(2-iodo-1-triethylsilyloxyethyl)-1-phenylmethoxybenzene is sourced from PubChem (CID 18615149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).