5-(1-acetamidoethyl)thiophene-2-sulfonyl chloride

C8H10ClNO3S2 — CID 24689365

IUPAC5-(1-acetamidoethyl)thiophene-2-sulfonyl chloride
SMILESCC(=O)NC(C)c1ccc(S(=O)(=O)Cl)s1
InChIInChI=1S/C8H10ClNO3S2/c1-5(10-6(2)11)7-3-4-8(14-7)15(9,12)13/h3-5H,1-2H3,(H,10,11)
InChIKeyVWYNRXTXBQRGJY-UHFFFAOYSA-N
MW267.76 g/mol
LogP1.87
Rot. Bonds3

About 5-(1-acetamidoethyl)thiophene-2-sulfonyl chloride

5-(1-acetamidoethyl)thiophene-2-sulfonyl chloride (PubChem CID 24689365) has the molecular formula C8H10ClNO3S2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 5-(1-acetamidoethyl)thiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name5-(1-acetamidoethyl)thiophene-2-sulfonyl chloride
PubChem CID24689365
Molecular FormulaC8H10ClNO3S2
Molecular Weight267.76 g/mol
Exact Mass266.98
IUPAC Name5-(1-acetamidoethyl)thiophene-2-sulfonyl chloride
SMILESCC(=O)NC(C)c1ccc(S(=O)(=O)Cl)s1
InChIInChI=1S/C8H10ClNO3S2/c1-5(10-6(2)11)7-3-4-8(14-7)15(9,12)13/h3-5H,1-2H3,(H,10,11)
InChIKeyVWYNRXTXBQRGJY-UHFFFAOYSA-N
XLogP1.87
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-acetamidoethyl)thiophene-2-sulfonyl chloride?
The IUPAC name of 5-(1-acetamidoethyl)thiophene-2-sulfonyl chloride (CID 24689365) is 5-(1-acetamidoethyl)thiophene-2-sulfonyl chloride.
What is the SMILES notation for 5-(1-acetamidoethyl)thiophene-2-sulfonyl chloride?
The canonical SMILES for 5-(1-acetamidoethyl)thiophene-2-sulfonyl chloride is CC(=O)NC(C)c1ccc(S(=O)(=O)Cl)s1.
What is the InChIKey of 5-(1-acetamidoethyl)thiophene-2-sulfonyl chloride?
The InChIKey is VWYNRXTXBQRGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO3S2/c1-5(10-6(2)11)7-3-4-8(14-7)15(9,12)13/h3-5H,1-2H3,(H,10,11).
What are the key properties of 5-(1-acetamidoethyl)thiophene-2-sulfonyl chloride?
5-(1-acetamidoethyl)thiophene-2-sulfonyl chloride has a molecular weight of 267.76 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-acetamidoethyl)thiophene-2-sulfonyl chloride is sourced from PubChem (CID 24689365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).