N-(4-bromo-2-ethylbutyl)cyclopentanesulfonamide

C11H22BrNO2S — CID 105361795

IUPACN-(4-bromo-2-ethylbutyl)cyclopentanesulfonamide
SMILESCCC(CCBr)CNS(=O)(=O)C1CCCC1
InChIInChI=1S/C11H22BrNO2S/c1-2-10(7-8-12)9-13-16(14,15)11-5-3-4-6-11/h10-11,13H,2-9H2,1H3
InChIKeyCTQHUVKEBKEZLL-UHFFFAOYSA-N
MW312.27 g/mol
LogP2.66
Rot. Bonds7

About N-(4-bromo-2-ethylbutyl)cyclopentanesulfonamide

N-(4-bromo-2-ethylbutyl)cyclopentanesulfonamide (PubChem CID 105361795) has the molecular formula C11H22BrNO2S and a molecular weight of 312.27 g/mol. Its IUPAC name is N-(4-bromo-2-ethylbutyl)cyclopentanesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-ethylbutyl)cyclopentanesulfonamide
PubChem CID105361795
Molecular FormulaC11H22BrNO2S
Molecular Weight312.27 g/mol
Exact Mass311.06
IUPAC NameN-(4-bromo-2-ethylbutyl)cyclopentanesulfonamide
SMILESCCC(CCBr)CNS(=O)(=O)C1CCCC1
InChIInChI=1S/C11H22BrNO2S/c1-2-10(7-8-12)9-13-16(14,15)11-5-3-4-6-11/h10-11,13H,2-9H2,1H3
InChIKeyCTQHUVKEBKEZLL-UHFFFAOYSA-N
XLogP2.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.27
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromo-2-ethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058544
N-(3-bromopropyl)-3-methylbutane-1-sulfonamide
CID 63857861
N-(2-bromocyclopentyl)-3-methylbutane-1-sulfonamide
CID 80663045
N-(2-bromocyclopentyl)-2-methylpropane-1-sulfonamide
CID 80663053
N-(4-bromobutan-2-yl)-3-methylbutane-1-sulfonamide
CID 83180557
N-(3-methyl-2-propan-2-ylbutyl)cyclopentanesulfonamide
CID 102912871
N-[(2-bromocyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide
CID 103521777
N-(4-bromo-2-methylbutyl)-3,3-dimethylbutane-1-sulfonamide
CID 103521787
N-(3-bromo-2-methylpropyl)-3,3-dimethylbutane-1-sulfonamide
CID 103521801
N-(4-bromo-2-ethylbutyl)-3,3-dimethylbutane-1-sulfonamide
CID 103521804
N-(2-bromo-3-methylbutyl)-3,3-dimethylbutane-1-sulfonamide
CID 103521837
N-(4-bromopentan-2-yl)-2-methylpropane-1-sulfonamide
CID 104111128

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylbutyl)cyclopentanesulfonamide?
The IUPAC name of N-(4-bromo-2-ethylbutyl)cyclopentanesulfonamide (CID 105361795) is N-(4-bromo-2-ethylbutyl)cyclopentanesulfonamide.
What is the SMILES notation for N-(4-bromo-2-ethylbutyl)cyclopentanesulfonamide?
The canonical SMILES for N-(4-bromo-2-ethylbutyl)cyclopentanesulfonamide is CCC(CCBr)CNS(=O)(=O)C1CCCC1.
What is the InChIKey of N-(4-bromo-2-ethylbutyl)cyclopentanesulfonamide?
The InChIKey is CTQHUVKEBKEZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrNO2S/c1-2-10(7-8-12)9-13-16(14,15)11-5-3-4-6-11/h10-11,13H,2-9H2,1H3.
What are the key properties of N-(4-bromo-2-ethylbutyl)cyclopentanesulfonamide?
N-(4-bromo-2-ethylbutyl)cyclopentanesulfonamide has a molecular weight of 312.27 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethylbutyl)cyclopentanesulfonamide is sourced from PubChem (CID 105361795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).