N-(5-bromo-2-hydroxyphenyl)-4,4,4-trifluorobutane-1-sulfonamide

C10H11BrF3NO3S — CID 83059561

IUPACN-(5-bromo-2-hydroxyphenyl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)Nc1cc(Br)ccc1O
InChIInChI=1S/C10H11BrF3NO3S/c11-7-2-3-9(16)8(6-7)15-19(17,18)5-1-4-10(12,13)14/h2-3,6,15-16H,1,4-5H2
InChIKeyRPDABHNEUKRWFL-UHFFFAOYSA-N
MW362.17 g/mol
LogP3.24
Rot. Bonds5

About N-(5-bromo-2-hydroxyphenyl)-4,4,4-trifluorobutane-1-sulfonamide

N-(5-bromo-2-hydroxyphenyl)-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 83059561) has the molecular formula C10H11BrF3NO3S and a molecular weight of 362.17 g/mol. Its IUPAC name is N-(5-bromo-2-hydroxyphenyl)-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2-hydroxyphenyl)-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID83059561
Molecular FormulaC10H11BrF3NO3S
Molecular Weight362.17 g/mol
Exact Mass360.96
IUPAC NameN-(5-bromo-2-hydroxyphenyl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)Nc1cc(Br)ccc1O
InChIInChI=1S/C10H11BrF3NO3S/c11-7-2-3-9(16)8(6-7)15-19(17,18)5-1-4-10(12,13)14/h2-3,6,15-16H,1,4-5H2
InChIKeyRPDABHNEUKRWFL-UHFFFAOYSA-N
XLogP3.24
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.17
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-3-(4,4,4-trifluorobutylsulfonylamino)benzoic acid
CID 107264942
4,4,4-trifluoro-N-(4-hydroxy-2,5-dimethylphenyl)butane-1-sulfonamide
CID 106954586
3-fluoro-4-(4,4,4-trifluorobutylsulfonylamino)benzoic acid
CID 83047507
N-(2-bromo-5-chloro-3-pyridinyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 112750103
2-(4,4,4-trifluorobutylsulfonylamino)benzenesulfonyl fluoride
CID 116814342
4-chloro-2-(4,4,4-trifluorobutylsulfonylamino)benzoic acid
CID 83046870
4-[(5-bromo-2-fluorophenyl)sulfamoyl]butanoic acid
CID 43555610
N-(2-chloro-4-iodophenyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 107606863
4-bromo-2-(butylsulfonylamino)benzenecarbothioamide
CID 107798991
N-(5-bromo-2-methylphenyl)-3-methoxypropane-1-sulfonamide
CID 55171348
2-methyl-6-(4,4,4-trifluorobutylsulfonylamino)benzenecarboximidamide
CID 107806229
4,4,4-trifluoro-N-[2-(3-hydroxyprop-1-ynyl)phenyl]butane-1-sulfonamide
CID 83048442

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-hydroxyphenyl)-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-(5-bromo-2-hydroxyphenyl)-4,4,4-trifluorobutane-1-sulfonamide (CID 83059561) is N-(5-bromo-2-hydroxyphenyl)-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-(5-bromo-2-hydroxyphenyl)-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-(5-bromo-2-hydroxyphenyl)-4,4,4-trifluorobutane-1-sulfonamide is O=S(=O)(CCCC(F)(F)F)Nc1cc(Br)ccc1O.
What is the InChIKey of N-(5-bromo-2-hydroxyphenyl)-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is RPDABHNEUKRWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF3NO3S/c11-7-2-3-9(16)8(6-7)15-19(17,18)5-1-4-10(12,13)14/h2-3,6,15-16H,1,4-5H2.
What are the key properties of N-(5-bromo-2-hydroxyphenyl)-4,4,4-trifluorobutane-1-sulfonamide?
N-(5-bromo-2-hydroxyphenyl)-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 362.17 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-hydroxyphenyl)-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 83059561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).