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

C11H8BrF2NO3S2 — CID 3281269

IUPAC5-bromo-N-[4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(OC(F)F)cc1)c1ccc(Br)s1
InChIInChI=1S/C11H8BrF2NO3S2/c12-9-5-6-10(19-9)20(16,17)15-7-1-3-8(4-2-7)18-11(13)14/h1-6,11,15H
InChIKeyZXHRJQWQHIFTEW-UHFFFAOYSA-N
MW384.22 g/mol
LogP3.91
Rot. Bonds5

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

5-bromo-N-[4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide (PubChem CID 3281269) has the molecular formula C11H8BrF2NO3S2 and a molecular weight of 384.22 g/mol. Its IUPAC name is 5-bromo-N-[4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide
PubChem CID3281269
Molecular FormulaC11H8BrF2NO3S2
Molecular Weight384.22 g/mol
Exact Mass382.91
IUPAC Name5-bromo-N-[4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(OC(F)F)cc1)c1ccc(Br)s1
InChIInChI=1S/C11H8BrF2NO3S2/c12-9-5-6-10(19-9)20(16,17)15-7-1-3-8(4-2-7)18-11(13)14/h1-6,11,15H
InChIKeyZXHRJQWQHIFTEW-UHFFFAOYSA-N
XLogP3.91
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.22
LogP ≤ 53.91
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-(difluoromethoxy)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide (CID 3281269) is 5-bromo-N-[4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide is O=S(=O)(Nc1ccc(OC(F)F)cc1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide?
The InChIKey is ZXHRJQWQHIFTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF2NO3S2/c12-9-5-6-10(19-9)20(16,17)15-7-1-3-8(4-2-7)18-11(13)14/h1-6,11,15H.
What are the key properties of 5-bromo-N-[4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide?
5-bromo-N-[4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide has a molecular weight of 384.22 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 3281269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).