5-[(cyclobutylamino)methyl]-3-fluorothiophene-2-sulfonyl chloride

C9H11ClFNO2S2 — CID 146611524

IUPAC5-[(cyclobutylamino)methyl]-3-fluorothiophene-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1sc(CNC2CCC2)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
InChIKeyPLFCYBMMDOWKBI-UHFFFAOYSA-N
MW283.78 g/mol
LogP2.46
Rot. Bonds4

About 5-[(cyclobutylamino)methyl]-3-fluorothiophene-2-sulfonyl chloride

5-[(cyclobutylamino)methyl]-3-fluorothiophene-2-sulfonyl chloride (PubChem CID 146611524) has the molecular formula C9H11ClFNO2S2 and a molecular weight of 283.78 g/mol. Its IUPAC name is 5-[(cyclobutylamino)methyl]-3-fluorothiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name5-[(cyclobutylamino)methyl]-3-fluorothiophene-2-sulfonyl chloride
PubChem CID146611524
Molecular FormulaC9H11ClFNO2S2
Molecular Weight283.78 g/mol
Exact Mass282.99
IUPAC Name5-[(cyclobutylamino)methyl]-3-fluorothiophene-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1sc(CNC2CCC2)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
InChIKeyPLFCYBMMDOWKBI-UHFFFAOYSA-N
XLogP2.46
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.78
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(cyclobutylamino)methyl]-3-fluorothiophene-2-sulfonyl chloride?
The IUPAC name of 5-[(cyclobutylamino)methyl]-3-fluorothiophene-2-sulfonyl chloride (CID 146611524) is 5-[(cyclobutylamino)methyl]-3-fluorothiophene-2-sulfonyl chloride.
What is the SMILES notation for 5-[(cyclobutylamino)methyl]-3-fluorothiophene-2-sulfonyl chloride?
The canonical SMILES for 5-[(cyclobutylamino)methyl]-3-fluorothiophene-2-sulfonyl chloride is O=S(=O)(Cl)c1sc(CNC2CCC2)cc1F.
What is the InChIKey of 5-[(cyclobutylamino)methyl]-3-fluorothiophene-2-sulfonyl chloride?
The InChIKey is PLFCYBMMDOWKBI-UHFFFAOYSA-N. 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.
What are the key properties of 5-[(cyclobutylamino)methyl]-3-fluorothiophene-2-sulfonyl chloride?
5-[(cyclobutylamino)methyl]-3-fluorothiophene-2-sulfonyl chloride has a molecular weight of 283.78 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclobutylamino)methyl]-3-fluorothiophene-2-sulfonyl chloride is sourced from PubChem (CID 146611524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).