5-bromo-N-(cyclopentylmethyl)-N-methylthiophene-2-sulfonamide

C11H16BrNO2S2 — CID 62067638

IUPAC5-bromo-N-(cyclopentylmethyl)-N-methylthiophene-2-sulfonamide
SMILESCN(CC1CCCC1)S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C11H16BrNO2S2/c1-13(8-9-4-2-3-5-9)17(14,15)11-7-6-10(12)16-11/h6-7,9H,2-5,8H2,1H3
InChIKeyQUKGDDUCZDILLX-UHFFFAOYSA-N
MW338.29 g/mol
LogP3.32
Rot. Bonds4

About 5-bromo-N-(cyclopentylmethyl)-N-methylthiophene-2-sulfonamide

5-bromo-N-(cyclopentylmethyl)-N-methylthiophene-2-sulfonamide (PubChem CID 62067638) has the molecular formula C11H16BrNO2S2 and a molecular weight of 338.29 g/mol. Its IUPAC name is 5-bromo-N-(cyclopentylmethyl)-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(cyclopentylmethyl)-N-methylthiophene-2-sulfonamide
PubChem CID62067638
Molecular FormulaC11H16BrNO2S2
Molecular Weight338.29 g/mol
Exact Mass336.98
IUPAC Name5-bromo-N-(cyclopentylmethyl)-N-methylthiophene-2-sulfonamide
SMILESCN(CC1CCCC1)S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C11H16BrNO2S2/c1-13(8-9-4-2-3-5-9)17(14,15)11-7-6-10(12)16-11/h6-7,9H,2-5,8H2,1H3
InChIKeyQUKGDDUCZDILLX-UHFFFAOYSA-N
XLogP3.32
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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 5-bromo-N-(cyclopentylmethyl)-N-methylthiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(cyclopentylmethyl)-N-methylthiophene-2-sulfonamide (CID 62067638) is 5-bromo-N-(cyclopentylmethyl)-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(cyclopentylmethyl)-N-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(cyclopentylmethyl)-N-methylthiophene-2-sulfonamide is CN(CC1CCCC1)S(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(cyclopentylmethyl)-N-methylthiophene-2-sulfonamide?
The InChIKey is QUKGDDUCZDILLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2S2/c1-13(8-9-4-2-3-5-9)17(14,15)11-7-6-10(12)16-11/h6-7,9H,2-5,8H2,1H3.
What are the key properties of 5-bromo-N-(cyclopentylmethyl)-N-methylthiophene-2-sulfonamide?
5-bromo-N-(cyclopentylmethyl)-N-methylthiophene-2-sulfonamide has a molecular weight of 338.29 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(cyclopentylmethyl)-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 62067638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).