2-bromo-N-(2-hydroxyethyl)-5-(trifluoromethyl)benzenesulfonamide

C9H9BrF3NO3S — CID 90312738

IUPAC2-bromo-N-(2-hydroxyethyl)-5-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCCO)c1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C9H9BrF3NO3S/c10-7-2-1-6(9(11,12)13)5-8(7)18(16,17)14-3-4-15/h1-2,5,14-15H,3-4H2
InChIKeyRBMQFSPFVIUUFF-UHFFFAOYSA-N
MW348.14 g/mol
LogP1.74
Rot. Bonds4

About 2-bromo-N-(2-hydroxyethyl)-5-(trifluoromethyl)benzenesulfonamide

2-bromo-N-(2-hydroxyethyl)-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 90312738) has the molecular formula C9H9BrF3NO3S and a molecular weight of 348.14 g/mol. Its IUPAC name is 2-bromo-N-(2-hydroxyethyl)-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(2-hydroxyethyl)-5-(trifluoromethyl)benzenesulfonamide
PubChem CID90312738
Molecular FormulaC9H9BrF3NO3S
Molecular Weight348.14 g/mol
Exact Mass346.94
IUPAC Name2-bromo-N-(2-hydroxyethyl)-5-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCCO)c1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C9H9BrF3NO3S/c10-7-2-1-6(9(11,12)13)5-8(7)18(16,17)14-3-4-15/h1-2,5,14-15H,3-4H2
InChIKeyRBMQFSPFVIUUFF-UHFFFAOYSA-N
XLogP1.74
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.14
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-hydroxyethyl)-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-bromo-N-(2-hydroxyethyl)-5-(trifluoromethyl)benzenesulfonamide (CID 90312738) is 2-bromo-N-(2-hydroxyethyl)-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(2-hydroxyethyl)-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-N-(2-hydroxyethyl)-5-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCCO)c1cc(C(F)(F)F)ccc1Br.
What is the InChIKey of 2-bromo-N-(2-hydroxyethyl)-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is RBMQFSPFVIUUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF3NO3S/c10-7-2-1-6(9(11,12)13)5-8(7)18(16,17)14-3-4-15/h1-2,5,14-15H,3-4H2.
What are the key properties of 2-bromo-N-(2-hydroxyethyl)-5-(trifluoromethyl)benzenesulfonamide?
2-bromo-N-(2-hydroxyethyl)-5-(trifluoromethyl)benzenesulfonamide has a molecular weight of 348.14 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-hydroxyethyl)-5-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 90312738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).