N-(4-bromo-3-iodophenyl)-2-propan-2-yloxyethanesulfonamide

C11H15BrINO3S — CID 113249970

IUPACN-(4-bromo-3-iodophenyl)-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)Nc1ccc(Br)c(I)c1
InChIInChI=1S/C11H15BrINO3S/c1-8(2)17-5-6-18(15,16)14-9-3-4-10(12)11(13)7-9/h3-4,7-8,14H,5-6H2,1-2H3
InChIKeyAYHGXPCGFXQIAM-UHFFFAOYSA-N
MW448.12 g/mol
LogP3.22
Rot. Bonds6

About N-(4-bromo-3-iodophenyl)-2-propan-2-yloxyethanesulfonamide

N-(4-bromo-3-iodophenyl)-2-propan-2-yloxyethanesulfonamide (PubChem CID 113249970) has the molecular formula C11H15BrINO3S and a molecular weight of 448.12 g/mol. Its IUPAC name is N-(4-bromo-3-iodophenyl)-2-propan-2-yloxyethanesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-3-iodophenyl)-2-propan-2-yloxyethanesulfonamide
PubChem CID113249970
Molecular FormulaC11H15BrINO3S
Molecular Weight448.12 g/mol
Exact Mass446.90
IUPAC NameN-(4-bromo-3-iodophenyl)-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)Nc1ccc(Br)c(I)c1
InChIInChI=1S/C11H15BrINO3S/c1-8(2)17-5-6-18(15,16)14-9-3-4-10(12)11(13)7-9/h3-4,7-8,14H,5-6H2,1-2H3
InChIKeyAYHGXPCGFXQIAM-UHFFFAOYSA-N
XLogP3.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.12
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-4-(2-propan-2-yloxyethylsulfonylamino)benzenesulfonamide
CID 79592852
4-(2-propan-2-yloxyethylsulfonylamino)benzoic acid
CID 79149174
4-(2-propan-2-yloxyethylsulfonylamino)benzenecarbothioamide
CID 79594551
N-(4-bromo-3-iodophenyl)-1-cyanomethanesulfonamide
CID 130498705
N'-hydroxy-4-(2-propan-2-yloxyethylsulfonylamino)benzenecarboximidamide
CID 79593806
N-(3-amino-4-bromophenyl)-2-methoxyethanesulfonamide
CID 79768293
N-(3-bromo-4-iodophenyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 114262255
N-[3-(aminomethyl)-4-ethoxyphenyl]-2-propan-2-yloxyethanesulfonamide
CID 79593302
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-propan-2-yloxyethanesulfonamide
CID 79130523
N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]-2-propan-2-yloxyethanesulfonamide
CID 79592879
N-(2-chloro-4-iodophenyl)-2-propan-2-yloxyethanesulfonamide
CID 103729090
N-(3-bromo-2-hydroxyphenyl)-2-propan-2-yloxyethanesulfonamide
CID 81495801

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-iodophenyl)-2-propan-2-yloxyethanesulfonamide?
The IUPAC name of N-(4-bromo-3-iodophenyl)-2-propan-2-yloxyethanesulfonamide (CID 113249970) is N-(4-bromo-3-iodophenyl)-2-propan-2-yloxyethanesulfonamide.
What is the SMILES notation for N-(4-bromo-3-iodophenyl)-2-propan-2-yloxyethanesulfonamide?
The canonical SMILES for N-(4-bromo-3-iodophenyl)-2-propan-2-yloxyethanesulfonamide is CC(C)OCCS(=O)(=O)Nc1ccc(Br)c(I)c1.
What is the InChIKey of N-(4-bromo-3-iodophenyl)-2-propan-2-yloxyethanesulfonamide?
The InChIKey is AYHGXPCGFXQIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrINO3S/c1-8(2)17-5-6-18(15,16)14-9-3-4-10(12)11(13)7-9/h3-4,7-8,14H,5-6H2,1-2H3.
What are the key properties of N-(4-bromo-3-iodophenyl)-2-propan-2-yloxyethanesulfonamide?
N-(4-bromo-3-iodophenyl)-2-propan-2-yloxyethanesulfonamide has a molecular weight of 448.12 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-iodophenyl)-2-propan-2-yloxyethanesulfonamide is sourced from PubChem (CID 113249970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).