(4-bromo-2-methylthiophen-3-yl)sulfonylazanium

C5H7BrNO2S2+ — CID 20617421

IUPAC(4-bromo-2-methylthiophen-3-yl)sulfonylazanium
SMILESCc1scc(Br)c1S([NH3+])(=O)=O
InChIInChI=1S/C5H6BrNO2S2/c1-3-5(11(7,8)9)4(6)2-10-3/h2H,1H3,(H2,7,8,9)/p+1
InChIKeyYWBQZGOTGMNVQU-UHFFFAOYSA-O
MW257.15 g/mol
LogP0.75
Rot. Bonds1

About (4-bromo-2-methylthiophen-3-yl)sulfonylazanium

(4-bromo-2-methylthiophen-3-yl)sulfonylazanium (PubChem CID 20617421) has the molecular formula C5H7BrNO2S2+ and a molecular weight of 257.15 g/mol. Its IUPAC name is (4-bromo-2-methylthiophen-3-yl)sulfonylazanium.

Molecular Properties

Compound Name(4-bromo-2-methylthiophen-3-yl)sulfonylazanium
PubChem CID20617421
Molecular FormulaC5H7BrNO2S2+
Molecular Weight257.15 g/mol
Exact Mass255.91
IUPAC Name(4-bromo-2-methylthiophen-3-yl)sulfonylazanium
SMILESCc1scc(Br)c1S([NH3+])(=O)=O
InChIInChI=1S/C5H6BrNO2S2/c1-3-5(11(7,8)9)4(6)2-10-3/h2H,1H3,(H2,7,8,9)/p+1
InChIKeyYWBQZGOTGMNVQU-UHFFFAOYSA-O
XLogP0.75
TPSA61.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.15
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methylthiophen-3-yl)sulfonylazanium?
The IUPAC name of (4-bromo-2-methylthiophen-3-yl)sulfonylazanium (CID 20617421) is (4-bromo-2-methylthiophen-3-yl)sulfonylazanium.
What is the SMILES notation for (4-bromo-2-methylthiophen-3-yl)sulfonylazanium?
The canonical SMILES for (4-bromo-2-methylthiophen-3-yl)sulfonylazanium is Cc1scc(Br)c1S([NH3+])(=O)=O.
What is the InChIKey of (4-bromo-2-methylthiophen-3-yl)sulfonylazanium?
The InChIKey is YWBQZGOTGMNVQU-UHFFFAOYSA-O. 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)/p+1.
What are the key properties of (4-bromo-2-methylthiophen-3-yl)sulfonylazanium?
(4-bromo-2-methylthiophen-3-yl)sulfonylazanium has a molecular weight of 257.15 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-methylthiophen-3-yl)sulfonylazanium is sourced from PubChem (CID 20617421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).