(5-chlorosulfonyl-4-fluorothiophen-2-yl)methyl-cyclobutylazanium

C9H12ClFNO2S2+ — CID 163871511

IUPAC(5-chlorosulfonyl-4-fluorothiophen-2-yl)methyl-cyclobutylazanium
SMILESO=S(=O)(Cl)c1sc(C[NH2+]C2CCC2)cc1F
InChIInChI=1S/C9H11ClFNO2S2/c10-16(13,14)9-8(11)4-7(15-9)5-12-6-2-1-3-6/h4,6,12H,1-3,5H2/p+1
InChIKeyPLFCYBMMDOWKBI-UHFFFAOYSA-O
MW284.79 g/mol
LogP1.43
Rot. Bonds4

About (5-chlorosulfonyl-4-fluorothiophen-2-yl)methyl-cyclobutylazanium

(5-chlorosulfonyl-4-fluorothiophen-2-yl)methyl-cyclobutylazanium (PubChem CID 163871511) has the molecular formula C9H12ClFNO2S2+ and a molecular weight of 284.79 g/mol. Its IUPAC name is (5-chlorosulfonyl-4-fluorothiophen-2-yl)methyl-cyclobutylazanium.

Molecular Properties

Compound Name(5-chlorosulfonyl-4-fluorothiophen-2-yl)methyl-cyclobutylazanium
PubChem CID163871511
Molecular FormulaC9H12ClFNO2S2+
Molecular Weight284.79 g/mol
Exact Mass284.00
IUPAC Name(5-chlorosulfonyl-4-fluorothiophen-2-yl)methyl-cyclobutylazanium
SMILESO=S(=O)(Cl)c1sc(C[NH2+]C2CCC2)cc1F
InChIInChI=1S/C9H11ClFNO2S2/c10-16(13,14)9-8(11)4-7(15-9)5-12-6-2-1-3-6/h4,6,12H,1-3,5H2/p+1
InChIKeyPLFCYBMMDOWKBI-UHFFFAOYSA-O
XLogP1.43
TPSA50.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-chlorosulfonyl-4-fluorothiophen-2-yl)methyl-cyclobutylazanium?
The IUPAC name of (5-chlorosulfonyl-4-fluorothiophen-2-yl)methyl-cyclobutylazanium (CID 163871511) is (5-chlorosulfonyl-4-fluorothiophen-2-yl)methyl-cyclobutylazanium.
What is the SMILES notation for (5-chlorosulfonyl-4-fluorothiophen-2-yl)methyl-cyclobutylazanium?
The canonical SMILES for (5-chlorosulfonyl-4-fluorothiophen-2-yl)methyl-cyclobutylazanium is O=S(=O)(Cl)c1sc(C[NH2+]C2CCC2)cc1F.
What is the InChIKey of (5-chlorosulfonyl-4-fluorothiophen-2-yl)methyl-cyclobutylazanium?
The InChIKey is PLFCYBMMDOWKBI-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H11ClFNO2S2/c10-16(13,14)9-8(11)4-7(15-9)5-12-6-2-1-3-6/h4,6,12H,1-3,5H2/p+1.
What are the key properties of (5-chlorosulfonyl-4-fluorothiophen-2-yl)methyl-cyclobutylazanium?
(5-chlorosulfonyl-4-fluorothiophen-2-yl)methyl-cyclobutylazanium has a molecular weight of 284.79 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorosulfonyl-4-fluorothiophen-2-yl)methyl-cyclobutylazanium is sourced from PubChem (CID 163871511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).