N-(6-bromohexyl)cyclohexanesulfonamide

C12H24BrNO2S — CID 107848725

IUPACN-(6-bromohexyl)cyclohexanesulfonamide
SMILESO=S(=O)(NCCCCCCBr)C1CCCCC1
InChIInChI=1S/C12H24BrNO2S/c13-10-6-1-2-7-11-14-17(15,16)12-8-4-3-5-9-12/h12,14H,1-11H2
InChIKeyPTXWUUWSZLUEFE-UHFFFAOYSA-N
MW326.30 g/mol
LogP3.19
Rot. Bonds8

About N-(6-bromohexyl)cyclohexanesulfonamide

N-(6-bromohexyl)cyclohexanesulfonamide (PubChem CID 107848725) has the molecular formula C12H24BrNO2S and a molecular weight of 326.30 g/mol. Its IUPAC name is N-(6-bromohexyl)cyclohexanesulfonamide.

Molecular Properties

Compound NameN-(6-bromohexyl)cyclohexanesulfonamide
PubChem CID107848725
Molecular FormulaC12H24BrNO2S
Molecular Weight326.30 g/mol
Exact Mass325.07
IUPAC NameN-(6-bromohexyl)cyclohexanesulfonamide
SMILESO=S(=O)(NCCCCCCBr)C1CCCCC1
InChIInChI=1S/C12H24BrNO2S/c13-10-6-1-2-7-11-14-17(15,16)12-8-4-3-5-9-12/h12,14H,1-11H2
InChIKeyPTXWUUWSZLUEFE-UHFFFAOYSA-N
XLogP3.19
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.30
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(6-bromohexyl)oxane-4-sulfonamide
CID 107848871
N-(6-aminohexyl)cyclohexanesulfonamide
CID 114008140
N-[3-(2-bromoethoxy)propyl]cyclohexanesulfonamide
CID 106304856
N-(4-hydroxybutyl)cyclohexanesulfonamide
CID 106843941
N-(4-aminobutyl)cyclopentanesulfonamide
CID 105360505
N-(3-aminopropyl)cyclopentanesulfonamide
CID 115752131
N-[3-(cyclopropylamino)propyl]cyclopentanesulfonamide
CID 105361362
N-[3-(4-aminocyclohexyl)oxypropyl]cyclohexanesulfonamide
CID 63869838
N-(3-bromobutyl)cyclohexanesulfonamide
CID 114297660
4-bromobutylsulfonylcyclohexane
CID 60872498
N-(6-bromohexyl)-1-cyclopropylmethanesulfonamide
CID 107848846
N-(4-bromo-2,2-dimethylbutyl)cyclohexanesulfonamide
CID 106145688

Frequently Asked Questions

What is the IUPAC name of N-(6-bromohexyl)cyclohexanesulfonamide?
The IUPAC name of N-(6-bromohexyl)cyclohexanesulfonamide (CID 107848725) is N-(6-bromohexyl)cyclohexanesulfonamide.
What is the SMILES notation for N-(6-bromohexyl)cyclohexanesulfonamide?
The canonical SMILES for N-(6-bromohexyl)cyclohexanesulfonamide is O=S(=O)(NCCCCCCBr)C1CCCCC1.
What is the InChIKey of N-(6-bromohexyl)cyclohexanesulfonamide?
The InChIKey is PTXWUUWSZLUEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BrNO2S/c13-10-6-1-2-7-11-14-17(15,16)12-8-4-3-5-9-12/h12,14H,1-11H2.
What are the key properties of N-(6-bromohexyl)cyclohexanesulfonamide?
N-(6-bromohexyl)cyclohexanesulfonamide has a molecular weight of 326.30 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromohexyl)cyclohexanesulfonamide is sourced from PubChem (CID 107848725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).