N-[(4-bromocyclohexyl)methyl]cyclohexanesulfonamide

C13H24BrNO2S — CID 106136096

IUPACN-[(4-bromocyclohexyl)methyl]cyclohexanesulfonamide
SMILESO=S(=O)(NCC1CCC(Br)CC1)C1CCCCC1
InChIInChI=1S/C13H24BrNO2S/c14-12-8-6-11(7-9-12)10-15-18(16,17)13-4-2-1-3-5-13/h11-13,15H,1-10H2
InChIKeySJZAZBWNZQLOSS-UHFFFAOYSA-N
MW338.31 g/mol
LogP3.19
Rot. Bonds4

About N-[(4-bromocyclohexyl)methyl]cyclohexanesulfonamide

N-[(4-bromocyclohexyl)methyl]cyclohexanesulfonamide (PubChem CID 106136096) has the molecular formula C13H24BrNO2S and a molecular weight of 338.31 g/mol. Its IUPAC name is N-[(4-bromocyclohexyl)methyl]cyclohexanesulfonamide.

Molecular Properties

Compound NameN-[(4-bromocyclohexyl)methyl]cyclohexanesulfonamide
PubChem CID106136096
Molecular FormulaC13H24BrNO2S
Molecular Weight338.31 g/mol
Exact Mass337.07
IUPAC NameN-[(4-bromocyclohexyl)methyl]cyclohexanesulfonamide
SMILESO=S(=O)(NCC1CCC(Br)CC1)C1CCCCC1
InChIInChI=1S/C13H24BrNO2S/c14-12-8-6-11(7-9-12)10-15-18(16,17)13-4-2-1-3-5-13/h11-13,15H,1-10H2
InChIKeySJZAZBWNZQLOSS-UHFFFAOYSA-N
XLogP3.19
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.31
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromocyclohexyl)methyl]cyclohexanesulfonamide?
The IUPAC name of N-[(4-bromocyclohexyl)methyl]cyclohexanesulfonamide (CID 106136096) is N-[(4-bromocyclohexyl)methyl]cyclohexanesulfonamide.
What is the SMILES notation for N-[(4-bromocyclohexyl)methyl]cyclohexanesulfonamide?
The canonical SMILES for N-[(4-bromocyclohexyl)methyl]cyclohexanesulfonamide is O=S(=O)(NCC1CCC(Br)CC1)C1CCCCC1.
What is the InChIKey of N-[(4-bromocyclohexyl)methyl]cyclohexanesulfonamide?
The InChIKey is SJZAZBWNZQLOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrNO2S/c14-12-8-6-11(7-9-12)10-15-18(16,17)13-4-2-1-3-5-13/h11-13,15H,1-10H2.
What are the key properties of N-[(4-bromocyclohexyl)methyl]cyclohexanesulfonamide?
N-[(4-bromocyclohexyl)methyl]cyclohexanesulfonamide has a molecular weight of 338.31 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromocyclohexyl)methyl]cyclohexanesulfonamide is sourced from PubChem (CID 106136096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).