4-bromo-2-methylthiophene-3-sulfonamide

C5H6BrNO2S2 — CID 20617422

IUPAC4-bromo-2-methylthiophene-3-sulfonamide
SMILESCc1scc(Br)c1S(N)(=O)=O
InChIInChI=1S/C5H6BrNO2S2/c1-3-5(11(7,8)9)4(6)2-10-3/h2H,1H3,(H2,7,8,9)
InChIKeyYWBQZGOTGMNVQU-UHFFFAOYSA-N
MW256.15 g/mol
LogP1.47
Rot. Bonds1

About 4-bromo-2-methylthiophene-3-sulfonamide

4-bromo-2-methylthiophene-3-sulfonamide (PubChem CID 20617422) has the molecular formula C5H6BrNO2S2 and a molecular weight of 256.15 g/mol. Its IUPAC name is 4-bromo-2-methylthiophene-3-sulfonamide.

Molecular Properties

Compound Name4-bromo-2-methylthiophene-3-sulfonamide
PubChem CID20617422
Molecular FormulaC5H6BrNO2S2
Molecular Weight256.15 g/mol
Exact Mass254.90
IUPAC Name4-bromo-2-methylthiophene-3-sulfonamide
SMILESCc1scc(Br)c1S(N)(=O)=O
InChIInChI=1S/C5H6BrNO2S2/c1-3-5(11(7,8)9)4(6)2-10-3/h2H,1H3,(H2,7,8,9)
InChIKeyYWBQZGOTGMNVQU-UHFFFAOYSA-N
XLogP1.47
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.15
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methylthiophene-3-sulfonamide?
The IUPAC name of 4-bromo-2-methylthiophene-3-sulfonamide (CID 20617422) is 4-bromo-2-methylthiophene-3-sulfonamide.
What is the SMILES notation for 4-bromo-2-methylthiophene-3-sulfonamide?
The canonical SMILES for 4-bromo-2-methylthiophene-3-sulfonamide is Cc1scc(Br)c1S(N)(=O)=O.
What is the InChIKey of 4-bromo-2-methylthiophene-3-sulfonamide?
The InChIKey is YWBQZGOTGMNVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrNO2S2/c1-3-5(11(7,8)9)4(6)2-10-3/h2H,1H3,(H2,7,8,9).
What are the key properties of 4-bromo-2-methylthiophene-3-sulfonamide?
4-bromo-2-methylthiophene-3-sulfonamide has a molecular weight of 256.15 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methylthiophene-3-sulfonamide is sourced from PubChem (CID 20617422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).