N-(3-bromobutyl)cyclohexanesulfonamide

C10H20BrNO2S — CID 114297660

IUPACN-(3-bromobutyl)cyclohexanesulfonamide
SMILESCC(Br)CCNS(=O)(=O)C1CCCCC1
InChIInChI=1S/C10H20BrNO2S/c1-9(11)7-8-12-15(13,14)10-5-3-2-4-6-10/h9-10,12H,2-8H2,1H3
InChIKeyXIAMFLANUQJNDU-UHFFFAOYSA-N
MW298.25 g/mol
LogP2.41
Rot. Bonds5

About N-(3-bromobutyl)cyclohexanesulfonamide

N-(3-bromobutyl)cyclohexanesulfonamide (PubChem CID 114297660) has the molecular formula C10H20BrNO2S and a molecular weight of 298.25 g/mol. Its IUPAC name is N-(3-bromobutyl)cyclohexanesulfonamide.

Molecular Properties

Compound NameN-(3-bromobutyl)cyclohexanesulfonamide
PubChem CID114297660
Molecular FormulaC10H20BrNO2S
Molecular Weight298.25 g/mol
Exact Mass297.04
IUPAC NameN-(3-bromobutyl)cyclohexanesulfonamide
SMILESCC(Br)CCNS(=O)(=O)C1CCCCC1
InChIInChI=1S/C10H20BrNO2S/c1-9(11)7-8-12-15(13,14)10-5-3-2-4-6-10/h9-10,12H,2-8H2,1H3
InChIKeyXIAMFLANUQJNDU-UHFFFAOYSA-N
XLogP2.41
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.25
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-bromobutyl)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-(3-aminobutyl)cyclopentanesulfonamide
CID 115752301
N-(5-chloro-4-methylpentyl)cyclopentanesulfonamide
CID 106158932
N-(2-bromo-4-methylpentyl)cyclopentanesulfonamide
CID 107158183
N-(3-hydroxy-4-methoxybutyl)cyclopentanesulfonamide
CID 103875926
N-(6-bromohexyl)cyclohexanesulfonamide
CID 107848725
N-(3-bromobutyl)piperidine-1-sulfonamide
CID 114297689
N-(1-bromopropan-2-yl)cyclohexanesulfonamide
CID 114294295
N-(4-hydroxybutyl)cyclohexanesulfonamide
CID 106843941
N-(3-methylbutyl)piperidine-3-sulfonamide
CID 24702359
N-(2-cyanopropyl)cyclohexanesulfonamide
CID 62651123
N-(4-chloro-2-methylbutyl)cyclopentanesulfonamide
CID 105361729
N-(3-aminopropyl)cyclopentanesulfonamide
CID 115752131

Frequently Asked Questions

What is the IUPAC name of N-(3-bromobutyl)cyclohexanesulfonamide?
The IUPAC name of N-(3-bromobutyl)cyclohexanesulfonamide (CID 114297660) is N-(3-bromobutyl)cyclohexanesulfonamide.
What is the SMILES notation for N-(3-bromobutyl)cyclohexanesulfonamide?
The canonical SMILES for N-(3-bromobutyl)cyclohexanesulfonamide is CC(Br)CCNS(=O)(=O)C1CCCCC1.
What is the InChIKey of N-(3-bromobutyl)cyclohexanesulfonamide?
The InChIKey is XIAMFLANUQJNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO2S/c1-9(11)7-8-12-15(13,14)10-5-3-2-4-6-10/h9-10,12H,2-8H2,1H3.
What are the key properties of N-(3-bromobutyl)cyclohexanesulfonamide?
N-(3-bromobutyl)cyclohexanesulfonamide has a molecular weight of 298.25 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromobutyl)cyclohexanesulfonamide is sourced from PubChem (CID 114297660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).