N-(3-bromo-2-hydroxyphenyl)-2-propan-2-yloxyethanesulfonamide

C11H16BrNO4S — CID 81495801

IUPACN-(3-bromo-2-hydroxyphenyl)-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)Nc1cccc(Br)c1O
InChIInChI=1S/C11H16BrNO4S/c1-8(2)17-6-7-18(15,16)13-10-5-3-4-9(12)11(10)14/h3-5,8,13-14H,6-7H2,1-2H3
InChIKeyHVHSULDVOHXUCU-UHFFFAOYSA-N
MW338.22 g/mol
LogP2.32
Rot. Bonds6

About N-(3-bromo-2-hydroxyphenyl)-2-propan-2-yloxyethanesulfonamide

N-(3-bromo-2-hydroxyphenyl)-2-propan-2-yloxyethanesulfonamide (PubChem CID 81495801) has the molecular formula C11H16BrNO4S and a molecular weight of 338.22 g/mol. Its IUPAC name is N-(3-bromo-2-hydroxyphenyl)-2-propan-2-yloxyethanesulfonamide.

Molecular Properties

Compound NameN-(3-bromo-2-hydroxyphenyl)-2-propan-2-yloxyethanesulfonamide
PubChem CID81495801
Molecular FormulaC11H16BrNO4S
Molecular Weight338.22 g/mol
Exact Mass337.00
IUPAC NameN-(3-bromo-2-hydroxyphenyl)-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)Nc1cccc(Br)c1O
InChIInChI=1S/C11H16BrNO4S/c1-8(2)17-6-7-18(15,16)13-10-5-3-4-9(12)11(10)14/h3-5,8,13-14H,6-7H2,1-2H3
InChIKeyHVHSULDVOHXUCU-UHFFFAOYSA-N
XLogP2.32
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxy-3-methylphenyl)-2-propan-2-yloxyethanesulfonamide
CID 79594821
N-(3-hydroxy-2-methylphenyl)-2-propan-2-yloxyethanesulfonamide
CID 79594475
2-methyl-3-(2-propan-2-yloxyethylsulfonylamino)benzenesulfonamide
CID 79593105
N-(3-bromo-2-hydroxyphenyl)-2-phenylpropane-1-sulfonamide
CID 81494969
N-(5-ethyl-2-hydroxyphenyl)-2-propan-2-yloxyethanesulfonamide
CID 79934251
N-[2-(ethylaminomethyl)phenyl]-2-propan-2-yloxyethanesulfonamide
CID 79594398
N-(3-bromoquinolin-8-yl)-2-propan-2-yloxyethanesulfonamide
CID 116784833
N-(2-amino-4-hydroxyphenyl)-2-propan-2-yloxyethanesulfonamide
CID 107697822
5-hydroxy-2-(2-propan-2-yloxyethylsulfonylamino)benzoic acid
CID 79594362
2-fluoro-N'-hydroxy-6-(2-propan-2-yloxyethylsulfonylamino)benzenecarboximidamide
CID 79593088
N-[(3-bromophenyl)methyl]-2-propan-2-yloxyethanesulfonamide
CID 71979894
N-(4-bromo-3-iodophenyl)-2-propan-2-yloxyethanesulfonamide
CID 113249970

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-hydroxyphenyl)-2-propan-2-yloxyethanesulfonamide?
The IUPAC name of N-(3-bromo-2-hydroxyphenyl)-2-propan-2-yloxyethanesulfonamide (CID 81495801) is N-(3-bromo-2-hydroxyphenyl)-2-propan-2-yloxyethanesulfonamide.
What is the SMILES notation for N-(3-bromo-2-hydroxyphenyl)-2-propan-2-yloxyethanesulfonamide?
The canonical SMILES for N-(3-bromo-2-hydroxyphenyl)-2-propan-2-yloxyethanesulfonamide is CC(C)OCCS(=O)(=O)Nc1cccc(Br)c1O.
What is the InChIKey of N-(3-bromo-2-hydroxyphenyl)-2-propan-2-yloxyethanesulfonamide?
The InChIKey is HVHSULDVOHXUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO4S/c1-8(2)17-6-7-18(15,16)13-10-5-3-4-9(12)11(10)14/h3-5,8,13-14H,6-7H2,1-2H3.
What are the key properties of N-(3-bromo-2-hydroxyphenyl)-2-propan-2-yloxyethanesulfonamide?
N-(3-bromo-2-hydroxyphenyl)-2-propan-2-yloxyethanesulfonamide has a molecular weight of 338.22 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-hydroxyphenyl)-2-propan-2-yloxyethanesulfonamide is sourced from PubChem (CID 81495801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).