5-bromo-N-(2-cyanoethyl)-N-ethyl-4-methylthiophene-2-sulfonamide

C10H13BrN2O2S2 — CID 71975650

IUPAC5-bromo-N-(2-cyanoethyl)-N-ethyl-4-methylthiophene-2-sulfonamide
SMILESCCN(CCC#N)S(=O)(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C10H13BrN2O2S2/c1-3-13(6-4-5-12)17(14,15)9-7-8(2)10(11)16-9/h7H,3-4,6H2,1-2H3
InChIKeyRDEPGXWEVYBZFQ-UHFFFAOYSA-N
MW337.26 g/mol
LogP2.74
Rot. Bonds5

About 5-bromo-N-(2-cyanoethyl)-N-ethyl-4-methylthiophene-2-sulfonamide

5-bromo-N-(2-cyanoethyl)-N-ethyl-4-methylthiophene-2-sulfonamide (PubChem CID 71975650) has the molecular formula C10H13BrN2O2S2 and a molecular weight of 337.26 g/mol. Its IUPAC name is 5-bromo-N-(2-cyanoethyl)-N-ethyl-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-cyanoethyl)-N-ethyl-4-methylthiophene-2-sulfonamide
PubChem CID71975650
Molecular FormulaC10H13BrN2O2S2
Molecular Weight337.26 g/mol
Exact Mass335.96
IUPAC Name5-bromo-N-(2-cyanoethyl)-N-ethyl-4-methylthiophene-2-sulfonamide
SMILESCCN(CCC#N)S(=O)(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C10H13BrN2O2S2/c1-3-13(6-4-5-12)17(14,15)9-7-8(2)10(11)16-9/h7H,3-4,6H2,1-2H3
InChIKeyRDEPGXWEVYBZFQ-UHFFFAOYSA-N
XLogP2.74
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-cyanoethyl)-N-ethyl-4-methylthiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(2-cyanoethyl)-N-ethyl-4-methylthiophene-2-sulfonamide (CID 71975650) is 5-bromo-N-(2-cyanoethyl)-N-ethyl-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(2-cyanoethyl)-N-ethyl-4-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(2-cyanoethyl)-N-ethyl-4-methylthiophene-2-sulfonamide is CCN(CCC#N)S(=O)(=O)c1cc(C)c(Br)s1.
What is the InChIKey of 5-bromo-N-(2-cyanoethyl)-N-ethyl-4-methylthiophene-2-sulfonamide?
The InChIKey is RDEPGXWEVYBZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2S2/c1-3-13(6-4-5-12)17(14,15)9-7-8(2)10(11)16-9/h7H,3-4,6H2,1-2H3.
What are the key properties of 5-bromo-N-(2-cyanoethyl)-N-ethyl-4-methylthiophene-2-sulfonamide?
5-bromo-N-(2-cyanoethyl)-N-ethyl-4-methylthiophene-2-sulfonamide has a molecular weight of 337.26 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-cyanoethyl)-N-ethyl-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 71975650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).