5-chloro-N-(2-cyanoethyl)-N-methylthiophene-2-sulfonamide

C8H9ClN2O2S2 — CID 17409083

IUPAC5-chloro-N-(2-cyanoethyl)-N-methylthiophene-2-sulfonamide
SMILESCN(CCC#N)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C8H9ClN2O2S2/c1-11(6-2-5-10)15(12,13)8-4-3-7(9)14-8/h3-4H,2,6H2,1H3
InChIKeyFIGIVEFBLFSRLL-UHFFFAOYSA-N
MW264.76 g/mol
LogP1.94
Rot. Bonds4

About 5-chloro-N-(2-cyanoethyl)-N-methylthiophene-2-sulfonamide

5-chloro-N-(2-cyanoethyl)-N-methylthiophene-2-sulfonamide (PubChem CID 17409083) has the molecular formula C8H9ClN2O2S2 and a molecular weight of 264.76 g/mol. Its IUPAC name is 5-chloro-N-(2-cyanoethyl)-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(2-cyanoethyl)-N-methylthiophene-2-sulfonamide
PubChem CID17409083
Molecular FormulaC8H9ClN2O2S2
Molecular Weight264.76 g/mol
Exact Mass263.98
IUPAC Name5-chloro-N-(2-cyanoethyl)-N-methylthiophene-2-sulfonamide
SMILESCN(CCC#N)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C8H9ClN2O2S2/c1-11(6-2-5-10)15(12,13)8-4-3-7(9)14-8/h3-4H,2,6H2,1H3
InChIKeyFIGIVEFBLFSRLL-UHFFFAOYSA-N
XLogP1.94
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-cyanoethyl)-N-methylthiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(2-cyanoethyl)-N-methylthiophene-2-sulfonamide (CID 17409083) is 5-chloro-N-(2-cyanoethyl)-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(2-cyanoethyl)-N-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(2-cyanoethyl)-N-methylthiophene-2-sulfonamide is CN(CCC#N)S(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-(2-cyanoethyl)-N-methylthiophene-2-sulfonamide?
The InChIKey is FIGIVEFBLFSRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2S2/c1-11(6-2-5-10)15(12,13)8-4-3-7(9)14-8/h3-4H,2,6H2,1H3.
What are the key properties of 5-chloro-N-(2-cyanoethyl)-N-methylthiophene-2-sulfonamide?
5-chloro-N-(2-cyanoethyl)-N-methylthiophene-2-sulfonamide has a molecular weight of 264.76 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-cyanoethyl)-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 17409083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).