N-(2-bromocyclopentyl)cyclohexanesulfonamide

C11H20BrNO2S — CID 80662545

IUPACN-(2-bromocyclopentyl)cyclohexanesulfonamide
SMILESO=S(=O)(NC1CCCC1Br)C1CCCCC1
InChIInChI=1S/C11H20BrNO2S/c12-10-7-4-8-11(10)13-16(14,15)9-5-2-1-3-6-9/h9-11,13H,1-8H2
InChIKeyPQLUKVFOMGKISU-UHFFFAOYSA-N
MW310.26 g/mol
LogP2.55
Rot. Bonds3

About N-(2-bromocyclopentyl)cyclohexanesulfonamide

N-(2-bromocyclopentyl)cyclohexanesulfonamide (PubChem CID 80662545) has the molecular formula C11H20BrNO2S and a molecular weight of 310.26 g/mol. Its IUPAC name is N-(2-bromocyclopentyl)cyclohexanesulfonamide.

Molecular Properties

Compound NameN-(2-bromocyclopentyl)cyclohexanesulfonamide
PubChem CID80662545
Molecular FormulaC11H20BrNO2S
Molecular Weight310.26 g/mol
Exact Mass309.04
IUPAC NameN-(2-bromocyclopentyl)cyclohexanesulfonamide
SMILESO=S(=O)(NC1CCCC1Br)C1CCCCC1
InChIInChI=1S/C11H20BrNO2S/c12-10-7-4-8-11(10)13-16(14,15)9-5-2-1-3-6-9/h9-11,13H,1-8H2
InChIKeyPQLUKVFOMGKISU-UHFFFAOYSA-N
XLogP2.55
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.26
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclopentyl)cyclohexanesulfonamide?
The IUPAC name of N-(2-bromocyclopentyl)cyclohexanesulfonamide (CID 80662545) is N-(2-bromocyclopentyl)cyclohexanesulfonamide.
What is the SMILES notation for N-(2-bromocyclopentyl)cyclohexanesulfonamide?
The canonical SMILES for N-(2-bromocyclopentyl)cyclohexanesulfonamide is O=S(=O)(NC1CCCC1Br)C1CCCCC1.
What is the InChIKey of N-(2-bromocyclopentyl)cyclohexanesulfonamide?
The InChIKey is PQLUKVFOMGKISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrNO2S/c12-10-7-4-8-11(10)13-16(14,15)9-5-2-1-3-6-9/h9-11,13H,1-8H2.
What are the key properties of N-(2-bromocyclopentyl)cyclohexanesulfonamide?
N-(2-bromocyclopentyl)cyclohexanesulfonamide has a molecular weight of 310.26 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclopentyl)cyclohexanesulfonamide is sourced from PubChem (CID 80662545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).