5-bromo-N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide

C11H7BrF3NO2S2 — CID 2211227

IUPAC5-bromo-N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(C(F)(F)F)cc1)c1ccc(Br)s1
InChIInChI=1S/C11H7BrF3NO2S2/c12-9-5-6-10(19-9)20(17,18)16-8-3-1-7(2-4-8)11(13,14)15/h1-6,16H
InChIKeyXWQXXNMSXFYERD-UHFFFAOYSA-N
MW386.21 g/mol
LogP4.33
Rot. Bonds3

About 5-bromo-N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide

5-bromo-N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide (PubChem CID 2211227) has the molecular formula C11H7BrF3NO2S2 and a molecular weight of 386.21 g/mol. Its IUPAC name is 5-bromo-N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
PubChem CID2211227
Molecular FormulaC11H7BrF3NO2S2
Molecular Weight386.21 g/mol
Exact Mass384.91
IUPAC Name5-bromo-N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(C(F)(F)F)cc1)c1ccc(Br)s1
InChIInChI=1S/C11H7BrF3NO2S2/c12-9-5-6-10(19-9)20(17,18)16-8-3-1-7(2-4-8)11(13,14)15/h1-6,16H
InChIKeyXWQXXNMSXFYERD-UHFFFAOYSA-N
XLogP4.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.21
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide (CID 2211227) is 5-bromo-N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide is O=S(=O)(Nc1ccc(C(F)(F)F)cc1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
The InChIKey is XWQXXNMSXFYERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrF3NO2S2/c12-9-5-6-10(19-9)20(17,18)16-8-3-1-7(2-4-8)11(13,14)15/h1-6,16H.
What are the key properties of 5-bromo-N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
5-bromo-N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide has a molecular weight of 386.21 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 2211227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).