2-bromo-N-cyclopentylbenzenesulfonamide

C11H14BrNO2S — CID 4997479

IUPAC2-bromo-N-cyclopentylbenzenesulfonamide
SMILESO=S(=O)(NC1CCCC1)c1ccccc1Br
InChIInChI=1S/C11H14BrNO2S/c12-10-7-3-4-8-11(10)16(14,15)13-9-5-1-2-6-9/h3-4,7-9,13H,1-2,5-6H2
InChIKeyFYHVTWJCMRGMLY-UHFFFAOYSA-N
MW304.21 g/mol
LogP2.67
Rot. Bonds3

About 2-bromo-N-cyclopentylbenzenesulfonamide

2-bromo-N-cyclopentylbenzenesulfonamide (PubChem CID 4997479) has the molecular formula C11H14BrNO2S and a molecular weight of 304.21 g/mol. Its IUPAC name is 2-bromo-N-cyclopentylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-cyclopentylbenzenesulfonamide
PubChem CID4997479
Molecular FormulaC11H14BrNO2S
Molecular Weight304.21 g/mol
Exact Mass302.99
IUPAC Name2-bromo-N-cyclopentylbenzenesulfonamide
SMILESO=S(=O)(NC1CCCC1)c1ccccc1Br
InChIInChI=1S/C11H14BrNO2S/c12-10-7-3-4-8-11(10)16(14,15)13-9-5-1-2-6-9/h3-4,7-9,13H,1-2,5-6H2
InChIKeyFYHVTWJCMRGMLY-UHFFFAOYSA-N
XLogP2.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.21
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-cyclopentylbenzenesulfonamide?
The IUPAC name of 2-bromo-N-cyclopentylbenzenesulfonamide (CID 4997479) is 2-bromo-N-cyclopentylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-N-cyclopentylbenzenesulfonamide?
The canonical SMILES for 2-bromo-N-cyclopentylbenzenesulfonamide is O=S(=O)(NC1CCCC1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-cyclopentylbenzenesulfonamide?
The InChIKey is FYHVTWJCMRGMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2S/c12-10-7-3-4-8-11(10)16(14,15)13-9-5-1-2-6-9/h3-4,7-9,13H,1-2,5-6H2.
What are the key properties of 2-bromo-N-cyclopentylbenzenesulfonamide?
2-bromo-N-cyclopentylbenzenesulfonamide has a molecular weight of 304.21 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-cyclopentylbenzenesulfonamide is sourced from PubChem (CID 4997479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).