4-bromo-5-phenylsulfanylthiophene-2-sulfonamide

C10H8BrNO2S3 — CID 12736849

IUPAC4-bromo-5-phenylsulfanylthiophene-2-sulfonamide
SMILESNS(=O)(=O)c1cc(Br)c(Sc2ccccc2)s1
InChIInChI=1S/C10H8BrNO2S3/c11-8-6-9(17(12,13)14)16-10(8)15-7-4-2-1-3-5-7/h1-6H,(H2,12,13,14)
InChIKeyVHOFIQZANLELKR-UHFFFAOYSA-N
MW350.28 g/mol
LogP3.31
Rot. Bonds3

About 4-bromo-5-phenylsulfanylthiophene-2-sulfonamide

4-bromo-5-phenylsulfanylthiophene-2-sulfonamide (PubChem CID 12736849) has the molecular formula C10H8BrNO2S3 and a molecular weight of 350.28 g/mol. Its IUPAC name is 4-bromo-5-phenylsulfanylthiophene-2-sulfonamide.

Molecular Properties

Compound Name4-bromo-5-phenylsulfanylthiophene-2-sulfonamide
PubChem CID12736849
Molecular FormulaC10H8BrNO2S3
Molecular Weight350.28 g/mol
Exact Mass348.89
IUPAC Name4-bromo-5-phenylsulfanylthiophene-2-sulfonamide
SMILESNS(=O)(=O)c1cc(Br)c(Sc2ccccc2)s1
InChIInChI=1S/C10H8BrNO2S3/c11-8-6-9(17(12,13)14)16-10(8)15-7-4-2-1-3-5-7/h1-6H,(H2,12,13,14)
InChIKeyVHOFIQZANLELKR-UHFFFAOYSA-N
XLogP3.31
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.28
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-phenylsulfanylthiophene-2-sulfonamide?
The IUPAC name of 4-bromo-5-phenylsulfanylthiophene-2-sulfonamide (CID 12736849) is 4-bromo-5-phenylsulfanylthiophene-2-sulfonamide.
What is the SMILES notation for 4-bromo-5-phenylsulfanylthiophene-2-sulfonamide?
The canonical SMILES for 4-bromo-5-phenylsulfanylthiophene-2-sulfonamide is NS(=O)(=O)c1cc(Br)c(Sc2ccccc2)s1.
What is the InChIKey of 4-bromo-5-phenylsulfanylthiophene-2-sulfonamide?
The InChIKey is VHOFIQZANLELKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO2S3/c11-8-6-9(17(12,13)14)16-10(8)15-7-4-2-1-3-5-7/h1-6H,(H2,12,13,14).
What are the key properties of 4-bromo-5-phenylsulfanylthiophene-2-sulfonamide?
4-bromo-5-phenylsulfanylthiophene-2-sulfonamide has a molecular weight of 350.28 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-phenylsulfanylthiophene-2-sulfonamide is sourced from PubChem (CID 12736849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).