5-(pentylcarbamoyl)thiophene-3-sulfonyl fluoride

C10H14FNO3S2 — CID 171554038

IUPAC5-(pentylcarbamoyl)thiophene-3-sulfonyl fluoride
SMILESCCCCCNC(=O)c1cc(S(=O)(=O)F)cs1
InChIInChI=1S/C10H14FNO3S2/c1-2-3-4-5-12-10(13)9-6-8(7-16-9)17(11,14)15/h6-7H,2-5H2,1H3,(H,12,13)
InChIKeyWQTSFXHSUIATCV-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.33
Rot. Bonds6

About 5-(pentylcarbamoyl)thiophene-3-sulfonyl fluoride

5-(pentylcarbamoyl)thiophene-3-sulfonyl fluoride (PubChem CID 171554038) has the molecular formula C10H14FNO3S2 and a molecular weight of 279.36 g/mol. Its IUPAC name is 5-(pentylcarbamoyl)thiophene-3-sulfonyl fluoride.

Molecular Properties

Compound Name5-(pentylcarbamoyl)thiophene-3-sulfonyl fluoride
PubChem CID171554038
Molecular FormulaC10H14FNO3S2
Molecular Weight279.36 g/mol
Exact Mass279.04
IUPAC Name5-(pentylcarbamoyl)thiophene-3-sulfonyl fluoride
SMILESCCCCCNC(=O)c1cc(S(=O)(=O)F)cs1
InChIInChI=1S/C10H14FNO3S2/c1-2-3-4-5-12-10(13)9-6-8(7-16-9)17(11,14)15/h6-7H,2-5H2,1H3,(H,12,13)
InChIKeyWQTSFXHSUIATCV-UHFFFAOYSA-N
XLogP2.33
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(pentylcarbamoyl)thiophene-3-sulfonyl fluoride?
The IUPAC name of 5-(pentylcarbamoyl)thiophene-3-sulfonyl fluoride (CID 171554038) is 5-(pentylcarbamoyl)thiophene-3-sulfonyl fluoride.
What is the SMILES notation for 5-(pentylcarbamoyl)thiophene-3-sulfonyl fluoride?
The canonical SMILES for 5-(pentylcarbamoyl)thiophene-3-sulfonyl fluoride is CCCCCNC(=O)c1cc(S(=O)(=O)F)cs1.
What is the InChIKey of 5-(pentylcarbamoyl)thiophene-3-sulfonyl fluoride?
The InChIKey is WQTSFXHSUIATCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO3S2/c1-2-3-4-5-12-10(13)9-6-8(7-16-9)17(11,14)15/h6-7H,2-5H2,1H3,(H,12,13).
What are the key properties of 5-(pentylcarbamoyl)thiophene-3-sulfonyl fluoride?
5-(pentylcarbamoyl)thiophene-3-sulfonyl fluoride has a molecular weight of 279.36 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pentylcarbamoyl)thiophene-3-sulfonyl fluoride is sourced from PubChem (CID 171554038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).