5-bromo-N-[4-methoxy-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide

C12H9BrF3NO3S2 — CID 3876130

IUPAC5-bromo-N-[4-methoxy-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1C(F)(F)F
InChIInChI=1S/C12H9BrF3NO3S2/c1-20-9-3-2-7(6-8(9)12(14,15)16)17-22(18,19)11-5-4-10(13)21-11/h2-6,17H,1H3
InChIKeyFOLABDKEHWVIHD-UHFFFAOYSA-N
MW416.24 g/mol
LogP4.34
Rot. Bonds4

About 5-bromo-N-[4-methoxy-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide

5-bromo-N-[4-methoxy-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide (PubChem CID 3876130) has the molecular formula C12H9BrF3NO3S2 and a molecular weight of 416.24 g/mol. Its IUPAC name is 5-bromo-N-[4-methoxy-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[4-methoxy-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
PubChem CID3876130
Molecular FormulaC12H9BrF3NO3S2
Molecular Weight416.24 g/mol
Exact Mass414.92
IUPAC Name5-bromo-N-[4-methoxy-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1C(F)(F)F
InChIInChI=1S/C12H9BrF3NO3S2/c1-20-9-3-2-7(6-8(9)12(14,15)16)17-22(18,19)11-5-4-10(13)21-11/h2-6,17H,1H3
InChIKeyFOLABDKEHWVIHD-UHFFFAOYSA-N
XLogP4.34
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.24
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-methoxy-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[4-methoxy-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide (CID 3876130) is 5-bromo-N-[4-methoxy-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[4-methoxy-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[4-methoxy-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide is COc1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1C(F)(F)F.
What is the InChIKey of 5-bromo-N-[4-methoxy-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
The InChIKey is FOLABDKEHWVIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrF3NO3S2/c1-20-9-3-2-7(6-8(9)12(14,15)16)17-22(18,19)11-5-4-10(13)21-11/h2-6,17H,1H3.
What are the key properties of 5-bromo-N-[4-methoxy-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
5-bromo-N-[4-methoxy-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide has a molecular weight of 416.24 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-methoxy-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 3876130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).