5-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide

C11H13BrF3NO3S — CID 166003440

IUPAC5-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)(CO)NS(=O)(=O)c1cc(Br)ccc1C(F)(F)F
InChIInChI=1S/C11H13BrF3NO3S/c1-10(2,6-17)16-20(18,19)9-5-7(12)3-4-8(9)11(13,14)15/h3-5,16-17H,6H2,1-2H3
InChIKeyKBCDDVSABTYPME-UHFFFAOYSA-N
MW376.19 g/mol
LogP2.52
Rot. Bonds4

About 5-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide

5-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 166003440) has the molecular formula C11H13BrF3NO3S and a molecular weight of 376.19 g/mol. Its IUPAC name is 5-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID166003440
Molecular FormulaC11H13BrF3NO3S
Molecular Weight376.19 g/mol
Exact Mass374.98
IUPAC Name5-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)(CO)NS(=O)(=O)c1cc(Br)ccc1C(F)(F)F
InChIInChI=1S/C11H13BrF3NO3S/c1-10(2,6-17)16-20(18,19)9-5-7(12)3-4-8(9)11(13,14)15/h3-5,16-17H,6H2,1-2H3
InChIKeyKBCDDVSABTYPME-UHFFFAOYSA-N
XLogP2.52
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.19
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 54922007
N-(1-bromo-2-methylpropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 113271978
2-[5-bromo-2-(trifluoromethyl)phenyl]sulfonylethanesulfonyl chloride
CID 107289885
2-amino-5-bromo-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 54888928
3-[5-bromo-2-(trifluoromethyl)anilino]-3-methylbutanamide
CID 106097201
3-bromo-4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 106606276
N-(1-amino-2-methylpropan-2-yl)-5-bromo-2-methylbenzenesulfonamide;hydrochloride
CID 119975386
4-bromo-2-(3-chloropropylsulfonyl)-1-(trifluoromethyl)benzene
CID 107286797
2-amino-5-bromo-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide
CID 63401977
4-bromo-2-fluoro-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide
CID 116528229
5-amino-2,4-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 43498653
2,4-dibromo-N-(1-hydroxy-2-methylbutan-2-yl)benzenesulfonamide
CID 64557229

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 5-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide (CID 166003440) is 5-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 5-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 5-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide is CC(C)(CO)NS(=O)(=O)c1cc(Br)ccc1C(F)(F)F.
What is the InChIKey of 5-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is KBCDDVSABTYPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF3NO3S/c1-10(2,6-17)16-20(18,19)9-5-7(12)3-4-8(9)11(13,14)15/h3-5,16-17H,6H2,1-2H3.
What are the key properties of 5-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide?
5-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 376.19 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 166003440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).