N-[(3-bromocyclopentyl)methyl]cyclohexanesulfonamide

C12H22BrNO2S — CID 106134974

IUPACN-[(3-bromocyclopentyl)methyl]cyclohexanesulfonamide
SMILESO=S(=O)(NCC1CCC(Br)C1)C1CCCCC1
InChIInChI=1S/C12H22BrNO2S/c13-11-7-6-10(8-11)9-14-17(15,16)12-4-2-1-3-5-12/h10-12,14H,1-9H2
InChIKeyZNSOPCRZWJGONH-UHFFFAOYSA-N
MW324.28 g/mol
LogP2.80
Rot. Bonds4

About N-[(3-bromocyclopentyl)methyl]cyclohexanesulfonamide

N-[(3-bromocyclopentyl)methyl]cyclohexanesulfonamide (PubChem CID 106134974) has the molecular formula C12H22BrNO2S and a molecular weight of 324.28 g/mol. Its IUPAC name is N-[(3-bromocyclopentyl)methyl]cyclohexanesulfonamide.

Molecular Properties

Compound NameN-[(3-bromocyclopentyl)methyl]cyclohexanesulfonamide
PubChem CID106134974
Molecular FormulaC12H22BrNO2S
Molecular Weight324.28 g/mol
Exact Mass323.06
IUPAC NameN-[(3-bromocyclopentyl)methyl]cyclohexanesulfonamide
SMILESO=S(=O)(NCC1CCC(Br)C1)C1CCCCC1
InChIInChI=1S/C12H22BrNO2S/c13-11-7-6-10(8-11)9-14-17(15,16)12-4-2-1-3-5-12/h10-12,14H,1-9H2
InChIKeyZNSOPCRZWJGONH-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
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-[(3-bromocyclopentyl)methyl]cyclohexanesulfonamide?
The IUPAC name of N-[(3-bromocyclopentyl)methyl]cyclohexanesulfonamide (CID 106134974) is N-[(3-bromocyclopentyl)methyl]cyclohexanesulfonamide.
What is the SMILES notation for N-[(3-bromocyclopentyl)methyl]cyclohexanesulfonamide?
The canonical SMILES for N-[(3-bromocyclopentyl)methyl]cyclohexanesulfonamide is O=S(=O)(NCC1CCC(Br)C1)C1CCCCC1.
What is the InChIKey of N-[(3-bromocyclopentyl)methyl]cyclohexanesulfonamide?
The InChIKey is ZNSOPCRZWJGONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrNO2S/c13-11-7-6-10(8-11)9-14-17(15,16)12-4-2-1-3-5-12/h10-12,14H,1-9H2.
What are the key properties of N-[(3-bromocyclopentyl)methyl]cyclohexanesulfonamide?
N-[(3-bromocyclopentyl)methyl]cyclohexanesulfonamide has a molecular weight of 324.28 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromocyclopentyl)methyl]cyclohexanesulfonamide is sourced from PubChem (CID 106134974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).