N-[1-(bromomethyl)cyclopentyl]cyclohexanesulfonamide

C12H22BrNO2S — CID 114297078

IUPACN-[1-(bromomethyl)cyclopentyl]cyclohexanesulfonamide
SMILESO=S(=O)(NC1(CBr)CCCC1)C1CCCCC1
InChIInChI=1S/C12H22BrNO2S/c13-10-12(8-4-5-9-12)14-17(15,16)11-6-2-1-3-7-11/h11,14H,1-10H2
InChIKeyCABACGARQITEMM-UHFFFAOYSA-N
MW324.28 g/mol
LogP2.95
Rot. Bonds4

About N-[1-(bromomethyl)cyclopentyl]cyclohexanesulfonamide

N-[1-(bromomethyl)cyclopentyl]cyclohexanesulfonamide (PubChem CID 114297078) has the molecular formula C12H22BrNO2S and a molecular weight of 324.28 g/mol. Its IUPAC name is N-[1-(bromomethyl)cyclopentyl]cyclohexanesulfonamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)cyclopentyl]cyclohexanesulfonamide
PubChem CID114297078
Molecular FormulaC12H22BrNO2S
Molecular Weight324.28 g/mol
Exact Mass323.06
IUPAC NameN-[1-(bromomethyl)cyclopentyl]cyclohexanesulfonamide
SMILESO=S(=O)(NC1(CBr)CCCC1)C1CCCCC1
InChIInChI=1S/C12H22BrNO2S/c13-10-12(8-4-5-9-12)14-17(15,16)11-6-2-1-3-7-11/h11,14H,1-10H2
InChIKeyCABACGARQITEMM-UHFFFAOYSA-N
XLogP2.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.28
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[1-(bromomethyl)cyclopentyl]cyclohexanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(bromomethyl)cyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83057948
N-[1-(bromomethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83060155
N-[1-(bromomethyl)cyclohexyl]-3,3-dimethylbutane-1-sulfonamide
CID 103521778
N-[1-(bromomethyl)cyclopentyl]-3,3-dimethylbutane-1-sulfonamide
CID 103521796
N-[1-(bromomethyl)cyclohexyl]cyclopentanesulfonamide
CID 105361765
N-[1-(bromomethyl)-4-methylcyclohexyl]cyclopentanesulfonamide
CID 105361767
N-[3-(bromomethyl)pentan-3-yl]cyclopentanesulfonamide
CID 105361768
N-[1-(bromomethyl)cyclopentyl]cyclopentanesulfonamide
CID 105361786
N-[(3-bromocyclopentyl)methyl]cyclohexanesulfonamide
CID 106134974
N-(1-bromo-3-methylpentan-3-yl)cyclohexanesulfonamide
CID 106169823
N-(1-bromo-3-methylpentan-3-yl)-1-cyclohexylmethanesulfonamide
CID 106169825
N-(1-bromo-3-methylpentan-3-yl)cyclopentanesulfonamide
CID 106170004

Frequently Asked Questions

What is the IUPAC name of N-[1-(bromomethyl)cyclopentyl]cyclohexanesulfonamide?
The IUPAC name of N-[1-(bromomethyl)cyclopentyl]cyclohexanesulfonamide (CID 114297078) is N-[1-(bromomethyl)cyclopentyl]cyclohexanesulfonamide.
What is the SMILES notation for N-[1-(bromomethyl)cyclopentyl]cyclohexanesulfonamide?
The canonical SMILES for N-[1-(bromomethyl)cyclopentyl]cyclohexanesulfonamide is O=S(=O)(NC1(CBr)CCCC1)C1CCCCC1.
What is the InChIKey of N-[1-(bromomethyl)cyclopentyl]cyclohexanesulfonamide?
The InChIKey is CABACGARQITEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrNO2S/c13-10-12(8-4-5-9-12)14-17(15,16)11-6-2-1-3-7-11/h11,14H,1-10H2.
What are the key properties of N-[1-(bromomethyl)cyclopentyl]cyclohexanesulfonamide?
N-[1-(bromomethyl)cyclopentyl]cyclohexanesulfonamide has a molecular weight of 324.28 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(bromomethyl)cyclopentyl]cyclohexanesulfonamide is sourced from PubChem (CID 114297078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).