3-bromo-N-(cyclobutylmethyl)-N-ethylthiophene-2-sulfonamide

C11H16BrNO2S2 — CID 107400610

IUPAC3-bromo-N-(cyclobutylmethyl)-N-ethylthiophene-2-sulfonamide
SMILESCCN(CC1CCC1)S(=O)(=O)c1sccc1Br
InChIInChI=1S/C11H16BrNO2S2/c1-2-13(8-9-4-3-5-9)17(14,15)11-10(12)6-7-16-11/h6-7,9H,2-5,8H2,1H3
InChIKeyHGRAFENBILQNSC-UHFFFAOYSA-N
MW338.29 g/mol
LogP3.32
Rot. Bonds5

About 3-bromo-N-(cyclobutylmethyl)-N-ethylthiophene-2-sulfonamide

3-bromo-N-(cyclobutylmethyl)-N-ethylthiophene-2-sulfonamide (PubChem CID 107400610) has the molecular formula C11H16BrNO2S2 and a molecular weight of 338.29 g/mol. Its IUPAC name is 3-bromo-N-(cyclobutylmethyl)-N-ethylthiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-(cyclobutylmethyl)-N-ethylthiophene-2-sulfonamide
PubChem CID107400610
Molecular FormulaC11H16BrNO2S2
Molecular Weight338.29 g/mol
Exact Mass336.98
IUPAC Name3-bromo-N-(cyclobutylmethyl)-N-ethylthiophene-2-sulfonamide
SMILESCCN(CC1CCC1)S(=O)(=O)c1sccc1Br
InChIInChI=1S/C11H16BrNO2S2/c1-2-13(8-9-4-3-5-9)17(14,15)11-10(12)6-7-16-11/h6-7,9H,2-5,8H2,1H3
InChIKeyHGRAFENBILQNSC-UHFFFAOYSA-N
XLogP3.32
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(cyclobutylmethyl)-N-ethylthiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-(cyclobutylmethyl)-N-ethylthiophene-2-sulfonamide (CID 107400610) is 3-bromo-N-(cyclobutylmethyl)-N-ethylthiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-(cyclobutylmethyl)-N-ethylthiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-(cyclobutylmethyl)-N-ethylthiophene-2-sulfonamide is CCN(CC1CCC1)S(=O)(=O)c1sccc1Br.
What is the InChIKey of 3-bromo-N-(cyclobutylmethyl)-N-ethylthiophene-2-sulfonamide?
The InChIKey is HGRAFENBILQNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2S2/c1-2-13(8-9-4-3-5-9)17(14,15)11-10(12)6-7-16-11/h6-7,9H,2-5,8H2,1H3.
What are the key properties of 3-bromo-N-(cyclobutylmethyl)-N-ethylthiophene-2-sulfonamide?
3-bromo-N-(cyclobutylmethyl)-N-ethylthiophene-2-sulfonamide has a molecular weight of 338.29 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(cyclobutylmethyl)-N-ethylthiophene-2-sulfonamide is sourced from PubChem (CID 107400610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).