5-bromo-N-(3-hydroxycyclobutyl)-2-(trifluoromethyl)benzenesulfonamide

C11H11BrF3NO3S — CID 166003374

IUPAC5-bromo-N-(3-hydroxycyclobutyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NC1CC(O)C1)c1cc(Br)ccc1C(F)(F)F
InChIInChI=1S/C11H11BrF3NO3S/c12-6-1-2-9(11(13,14)15)10(3-6)20(18,19)16-7-4-8(17)5-7/h1-3,7-8,16-17H,4-5H2
InChIKeyNCXKKUUMQDIFIP-UHFFFAOYSA-N
MW374.18 g/mol
LogP2.27
Rot. Bonds3

About 5-bromo-N-(3-hydroxycyclobutyl)-2-(trifluoromethyl)benzenesulfonamide

5-bromo-N-(3-hydroxycyclobutyl)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 166003374) has the molecular formula C11H11BrF3NO3S and a molecular weight of 374.18 g/mol. Its IUPAC name is 5-bromo-N-(3-hydroxycyclobutyl)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-(3-hydroxycyclobutyl)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID166003374
Molecular FormulaC11H11BrF3NO3S
Molecular Weight374.18 g/mol
Exact Mass372.96
IUPAC Name5-bromo-N-(3-hydroxycyclobutyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NC1CC(O)C1)c1cc(Br)ccc1C(F)(F)F
InChIInChI=1S/C11H11BrF3NO3S/c12-6-1-2-9(11(13,14)15)10(3-6)20(18,19)16-7-4-8(17)5-7/h1-3,7-8,16-17H,4-5H2
InChIKeyNCXKKUUMQDIFIP-UHFFFAOYSA-N
XLogP2.27
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.18
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-Bromo-N-(4-hydroxybutyl)-2-(trifluoromethyl)benzene-1-sulfonamide
CID 16094726
3-bromo-4-methyl-N-(4,4,4-trifluoro-3-hydroxybutyl)benzenesulfonamide
CID 118470734
4-bromo-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-3-methylbenzenesulfonamide
CID 134362302
2-bromo-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-3-methylbenzenesulfonamide
CID 134367304
5-bromo-N-(oxetan-3-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 166003388
5-bromo-N-[(3-hydroxyoxetan-3-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 166003407
5-bromo-N-(4-hydroxycyclohexyl)-2-(trifluoromethyl)benzenesulfonamide
CID 166003408
5-bromo-N-(3,3,3-trifluoro-2-hydroxypropyl)-2-(trifluoromethyl)benzenesulfonamide
CID 166003410
5-bromo-N-(2-hydroxy-2-methylpropyl)-2-(trifluoromethyl)benzenesulfonamide
CID 166003430
5-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 166003440
N-(3-hydroxycyclobutyl)-3-(trifluoromethyl)benzenesulfonamide
CID 65970698
N-(3-hydroxycyclobutyl)-2-(trifluoromethyl)benzenesulfonamide
CID 65970927

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-hydroxycyclobutyl)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 5-bromo-N-(3-hydroxycyclobutyl)-2-(trifluoromethyl)benzenesulfonamide (CID 166003374) is 5-bromo-N-(3-hydroxycyclobutyl)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 5-bromo-N-(3-hydroxycyclobutyl)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 5-bromo-N-(3-hydroxycyclobutyl)-2-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NC1CC(O)C1)c1cc(Br)ccc1C(F)(F)F.
What is the InChIKey of 5-bromo-N-(3-hydroxycyclobutyl)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is NCXKKUUMQDIFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF3NO3S/c12-6-1-2-9(11(13,14)15)10(3-6)20(18,19)16-7-4-8(17)5-7/h1-3,7-8,16-17H,4-5H2.
What are the key properties of 5-bromo-N-(3-hydroxycyclobutyl)-2-(trifluoromethyl)benzenesulfonamide?
5-bromo-N-(3-hydroxycyclobutyl)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 374.18 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-hydroxycyclobutyl)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 166003374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).