5-[2-(ethylsulfonylamino)ethyl]thiophene-2-sulfonyl fluoride

C8H12FNO4S3 — CID 165461725

IUPAC5-[2-(ethylsulfonylamino)ethyl]thiophene-2-sulfonyl fluoride
SMILESCCS(=O)(=O)NCCc1ccc(S(=O)(=O)F)s1
InChIInChI=1S/C8H12FNO4S3/c1-2-16(11,12)10-6-5-7-3-4-8(15-7)17(9,13)14/h3-4,10H,2,5-6H2,1H3
InChIKeyJWAGVHSJTUVIEV-UHFFFAOYSA-N
MW301.39 g/mol
LogP0.89
Rot. Bonds6

About 5-[2-(ethylsulfonylamino)ethyl]thiophene-2-sulfonyl fluoride

5-[2-(ethylsulfonylamino)ethyl]thiophene-2-sulfonyl fluoride (PubChem CID 165461725) has the molecular formula C8H12FNO4S3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 5-[2-(ethylsulfonylamino)ethyl]thiophene-2-sulfonyl fluoride.

Molecular Properties

Compound Name5-[2-(ethylsulfonylamino)ethyl]thiophene-2-sulfonyl fluoride
PubChem CID165461725
Molecular FormulaC8H12FNO4S3
Molecular Weight301.39 g/mol
Exact Mass300.99
IUPAC Name5-[2-(ethylsulfonylamino)ethyl]thiophene-2-sulfonyl fluoride
SMILESCCS(=O)(=O)NCCc1ccc(S(=O)(=O)F)s1
InChIInChI=1S/C8H12FNO4S3/c1-2-16(11,12)10-6-5-7-3-4-8(15-7)17(9,13)14/h3-4,10H,2,5-6H2,1H3
InChIKeyJWAGVHSJTUVIEV-UHFFFAOYSA-N
XLogP0.89
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(ethylsulfonylamino)ethyl]thiophene-2-sulfonyl fluoride?
The IUPAC name of 5-[2-(ethylsulfonylamino)ethyl]thiophene-2-sulfonyl fluoride (CID 165461725) is 5-[2-(ethylsulfonylamino)ethyl]thiophene-2-sulfonyl fluoride.
What is the SMILES notation for 5-[2-(ethylsulfonylamino)ethyl]thiophene-2-sulfonyl fluoride?
The canonical SMILES for 5-[2-(ethylsulfonylamino)ethyl]thiophene-2-sulfonyl fluoride is CCS(=O)(=O)NCCc1ccc(S(=O)(=O)F)s1.
What is the InChIKey of 5-[2-(ethylsulfonylamino)ethyl]thiophene-2-sulfonyl fluoride?
The InChIKey is JWAGVHSJTUVIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNO4S3/c1-2-16(11,12)10-6-5-7-3-4-8(15-7)17(9,13)14/h3-4,10H,2,5-6H2,1H3.
What are the key properties of 5-[2-(ethylsulfonylamino)ethyl]thiophene-2-sulfonyl fluoride?
5-[2-(ethylsulfonylamino)ethyl]thiophene-2-sulfonyl fluoride has a molecular weight of 301.39 g/mol, XLogP of 0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(ethylsulfonylamino)ethyl]thiophene-2-sulfonyl fluoride is sourced from PubChem (CID 165461725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).