5-[2-(2-methoxyethylsulfonylamino)ethyl]thiophene-2-sulfonyl chloride

C9H14ClNO5S3 — CID 55014305

IUPAC5-[2-(2-methoxyethylsulfonylamino)ethyl]thiophene-2-sulfonyl chloride
SMILESCOCCS(=O)(=O)NCCc1ccc(S(=O)(=O)Cl)s1
InChIInChI=1S/C9H14ClNO5S3/c1-16-6-7-18(12,13)11-5-4-8-2-3-9(17-8)19(10,14)15/h2-3,11H,4-7H2,1H3
InChIKeyJJTKEYFPDPBANI-UHFFFAOYSA-N
MW347.87 g/mol
LogP0.78
Rot. Bonds8

About 5-[2-(2-methoxyethylsulfonylamino)ethyl]thiophene-2-sulfonyl chloride

5-[2-(2-methoxyethylsulfonylamino)ethyl]thiophene-2-sulfonyl chloride (PubChem CID 55014305) has the molecular formula C9H14ClNO5S3 and a molecular weight of 347.87 g/mol. Its IUPAC name is 5-[2-(2-methoxyethylsulfonylamino)ethyl]thiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name5-[2-(2-methoxyethylsulfonylamino)ethyl]thiophene-2-sulfonyl chloride
PubChem CID55014305
Molecular FormulaC9H14ClNO5S3
Molecular Weight347.87 g/mol
Exact Mass346.97
IUPAC Name5-[2-(2-methoxyethylsulfonylamino)ethyl]thiophene-2-sulfonyl chloride
SMILESCOCCS(=O)(=O)NCCc1ccc(S(=O)(=O)Cl)s1
InChIInChI=1S/C9H14ClNO5S3/c1-16-6-7-18(12,13)11-5-4-8-2-3-9(17-8)19(10,14)15/h2-3,11H,4-7H2,1H3
InChIKeyJJTKEYFPDPBANI-UHFFFAOYSA-N
XLogP0.78
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.87
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methoxyethylsulfonylamino)ethyl]thiophene-2-sulfonyl chloride?
The IUPAC name of 5-[2-(2-methoxyethylsulfonylamino)ethyl]thiophene-2-sulfonyl chloride (CID 55014305) is 5-[2-(2-methoxyethylsulfonylamino)ethyl]thiophene-2-sulfonyl chloride.
What is the SMILES notation for 5-[2-(2-methoxyethylsulfonylamino)ethyl]thiophene-2-sulfonyl chloride?
The canonical SMILES for 5-[2-(2-methoxyethylsulfonylamino)ethyl]thiophene-2-sulfonyl chloride is COCCS(=O)(=O)NCCc1ccc(S(=O)(=O)Cl)s1.
What is the InChIKey of 5-[2-(2-methoxyethylsulfonylamino)ethyl]thiophene-2-sulfonyl chloride?
The InChIKey is JJTKEYFPDPBANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClNO5S3/c1-16-6-7-18(12,13)11-5-4-8-2-3-9(17-8)19(10,14)15/h2-3,11H,4-7H2,1H3.
What are the key properties of 5-[2-(2-methoxyethylsulfonylamino)ethyl]thiophene-2-sulfonyl chloride?
5-[2-(2-methoxyethylsulfonylamino)ethyl]thiophene-2-sulfonyl chloride has a molecular weight of 347.87 g/mol, XLogP of 0.78, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methoxyethylsulfonylamino)ethyl]thiophene-2-sulfonyl chloride is sourced from PubChem (CID 55014305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).