N-(4-bromocyclohexyl)cyclohexanesulfonamide

C12H22BrNO2S — CID 114295814

IUPACN-(4-bromocyclohexyl)cyclohexanesulfonamide
SMILESO=S(=O)(NC1CCC(Br)CC1)C1CCCCC1
InChIInChI=1S/C12H22BrNO2S/c13-10-6-8-11(9-7-10)14-17(15,16)12-4-2-1-3-5-12/h10-12,14H,1-9H2
InChIKeyMCMCXQYNCSUXOV-UHFFFAOYSA-N
MW324.28 g/mol
LogP2.94
Rot. Bonds3

About N-(4-bromocyclohexyl)cyclohexanesulfonamide

N-(4-bromocyclohexyl)cyclohexanesulfonamide (PubChem CID 114295814) has the molecular formula C12H22BrNO2S and a molecular weight of 324.28 g/mol. Its IUPAC name is N-(4-bromocyclohexyl)cyclohexanesulfonamide.

Molecular Properties

Compound NameN-(4-bromocyclohexyl)cyclohexanesulfonamide
PubChem CID114295814
Molecular FormulaC12H22BrNO2S
Molecular Weight324.28 g/mol
Exact Mass323.06
IUPAC NameN-(4-bromocyclohexyl)cyclohexanesulfonamide
SMILESO=S(=O)(NC1CCC(Br)CC1)C1CCCCC1
InChIInChI=1S/C12H22BrNO2S/c13-10-6-8-11(9-7-10)14-17(15,16)12-4-2-1-3-5-12/h10-12,14H,1-9H2
InChIKeyMCMCXQYNCSUXOV-UHFFFAOYSA-N
XLogP2.94
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.28
LogP ≤ 52.94
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-(bromomethyl)cyclohexyl]cyclohexanesulfonamide
CID 112753043
N-piperidin-4-ylcyclopentanesulfonamide
CID 115752108
N-[4-(hydroxymethyl)cyclohexyl]cyclopentanesulfonamide
CID 115277356
cis-(1R,3S)-3-(cyclohexylsulfonylamino)cyclopentane-1-carboxylic acid
CID 114173300
N-(azepan-4-yl)cyclopentanesulfonamide
CID 107172836
3-[(4-bromocyclohexyl)sulfamoyl]-N-(2-methylcyclohexyl)cyclohexane-1-carboxamide
CID 171400541
3-[(4-bromocyclohexyl)sulfamoyl]-N-[(2-fluorocyclohexyl)methyl]cyclohexane-1-carboxamide
CID 171400608
4-(cyclopropylsulfamoyl)cyclohexane-1-carboxylic acid
CID 166513762
N-[1-(cyclopentylmethyl)piperidin-4-yl]cyclopropanesulfonamide
CID 154575693
2-[4-(cyclopentylsulfonylamino)piperidin-1-yl]ethanethioamide
CID 105361155
N-cyclohexylsulfamoyl iodide
CID 155625677
N-methylcyclopentanesulfonamide
CID 4105675

Frequently Asked Questions

What is the IUPAC name of N-(4-bromocyclohexyl)cyclohexanesulfonamide?
The IUPAC name of N-(4-bromocyclohexyl)cyclohexanesulfonamide (CID 114295814) is N-(4-bromocyclohexyl)cyclohexanesulfonamide.
What is the SMILES notation for N-(4-bromocyclohexyl)cyclohexanesulfonamide?
The canonical SMILES for N-(4-bromocyclohexyl)cyclohexanesulfonamide is O=S(=O)(NC1CCC(Br)CC1)C1CCCCC1.
What is the InChIKey of N-(4-bromocyclohexyl)cyclohexanesulfonamide?
The InChIKey is MCMCXQYNCSUXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrNO2S/c13-10-6-8-11(9-7-10)14-17(15,16)12-4-2-1-3-5-12/h10-12,14H,1-9H2.
What are the key properties of N-(4-bromocyclohexyl)cyclohexanesulfonamide?
N-(4-bromocyclohexyl)cyclohexanesulfonamide has a molecular weight of 324.28 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromocyclohexyl)cyclohexanesulfonamide is sourced from PubChem (CID 114295814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).