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

C11H7BrF3NO3S2 — CID 79026156

IUPAC3-bromo-N-[2-hydroxy-5-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cc(C(F)(F)F)ccc1O)c1sccc1Br
InChIInChI=1S/C11H7BrF3NO3S2/c12-7-3-4-20-10(7)21(18,19)16-8-5-6(11(13,14)15)1-2-9(8)17/h1-5,16-17H
InChIKeyRXMBWGIACCXPNO-UHFFFAOYSA-N
MW402.21 g/mol
LogP4.04
Rot. Bonds3

About 3-bromo-N-[2-hydroxy-5-(trifluoromethyl)phenyl]thiophene-2-sulfonamide

3-bromo-N-[2-hydroxy-5-(trifluoromethyl)phenyl]thiophene-2-sulfonamide (PubChem CID 79026156) has the molecular formula C11H7BrF3NO3S2 and a molecular weight of 402.21 g/mol. Its IUPAC name is 3-bromo-N-[2-hydroxy-5-(trifluoromethyl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-[2-hydroxy-5-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
PubChem CID79026156
Molecular FormulaC11H7BrF3NO3S2
Molecular Weight402.21 g/mol
Exact Mass400.90
IUPAC Name3-bromo-N-[2-hydroxy-5-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cc(C(F)(F)F)ccc1O)c1sccc1Br
InChIInChI=1S/C11H7BrF3NO3S2/c12-7-3-4-20-10(7)21(18,19)16-8-5-6(11(13,14)15)1-2-9(8)17/h1-5,16-17H
InChIKeyRXMBWGIACCXPNO-UHFFFAOYSA-N
XLogP4.04
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.21
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-hydroxy-5-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-[2-hydroxy-5-(trifluoromethyl)phenyl]thiophene-2-sulfonamide (CID 79026156) is 3-bromo-N-[2-hydroxy-5-(trifluoromethyl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-[2-hydroxy-5-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-[2-hydroxy-5-(trifluoromethyl)phenyl]thiophene-2-sulfonamide is O=S(=O)(Nc1cc(C(F)(F)F)ccc1O)c1sccc1Br.
What is the InChIKey of 3-bromo-N-[2-hydroxy-5-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
The InChIKey is RXMBWGIACCXPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrF3NO3S2/c12-7-3-4-20-10(7)21(18,19)16-8-5-6(11(13,14)15)1-2-9(8)17/h1-5,16-17H.
What are the key properties of 3-bromo-N-[2-hydroxy-5-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
3-bromo-N-[2-hydroxy-5-(trifluoromethyl)phenyl]thiophene-2-sulfonamide has a molecular weight of 402.21 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-hydroxy-5-(trifluoromethyl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 79026156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).