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

C9H9BrF3NO2S — CID 90313690

IUPAC2-bromo-N-ethyl-5-(trifluoromethyl)benzenesulfonamide
SMILESCCNS(=O)(=O)c1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C9H9BrF3NO2S/c1-2-14-17(15,16)8-5-6(9(11,12)13)3-4-7(8)10/h3-5,14H,2H2,1H3
InChIKeyXCTXCOKSNXCNOZ-UHFFFAOYSA-N
MW332.14 g/mol
LogP2.77
Rot. Bonds3

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

2-bromo-N-ethyl-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 90313690) has the molecular formula C9H9BrF3NO2S and a molecular weight of 332.14 g/mol. Its IUPAC name is 2-bromo-N-ethyl-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-ethyl-5-(trifluoromethyl)benzenesulfonamide
PubChem CID90313690
Molecular FormulaC9H9BrF3NO2S
Molecular Weight332.14 g/mol
Exact Mass330.95
IUPAC Name2-bromo-N-ethyl-5-(trifluoromethyl)benzenesulfonamide
SMILESCCNS(=O)(=O)c1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C9H9BrF3NO2S/c1-2-14-17(15,16)8-5-6(9(11,12)13)3-4-7(8)10/h3-5,14H,2H2,1H3
InChIKeyXCTXCOKSNXCNOZ-UHFFFAOYSA-N
XLogP2.77
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.14
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-ethyl-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-bromo-N-ethyl-5-(trifluoromethyl)benzenesulfonamide (CID 90313690) is 2-bromo-N-ethyl-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-ethyl-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-N-ethyl-5-(trifluoromethyl)benzenesulfonamide is CCNS(=O)(=O)c1cc(C(F)(F)F)ccc1Br.
What is the InChIKey of 2-bromo-N-ethyl-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is XCTXCOKSNXCNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF3NO2S/c1-2-14-17(15,16)8-5-6(9(11,12)13)3-4-7(8)10/h3-5,14H,2H2,1H3.
What are the key properties of 2-bromo-N-ethyl-5-(trifluoromethyl)benzenesulfonamide?
2-bromo-N-ethyl-5-(trifluoromethyl)benzenesulfonamide has a molecular weight of 332.14 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-ethyl-5-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 90313690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).