N-[(2-bromocyclohexyl)methyl]cyclopentanesulfonamide

C12H22BrNO2S — CID 105361789

IUPACN-[(2-bromocyclohexyl)methyl]cyclopentanesulfonamide
SMILESO=S(=O)(NCC1CCCCC1Br)C1CCCC1
InChIInChI=1S/C12H22BrNO2S/c13-12-8-4-1-5-10(12)9-14-17(15,16)11-6-2-3-7-11/h10-12,14H,1-9H2
InChIKeyTXAJQQDOTIZPSZ-UHFFFAOYSA-N
MW324.28 g/mol
LogP2.80
Rot. Bonds4

About N-[(2-bromocyclohexyl)methyl]cyclopentanesulfonamide

N-[(2-bromocyclohexyl)methyl]cyclopentanesulfonamide (PubChem CID 105361789) has the molecular formula C12H22BrNO2S and a molecular weight of 324.28 g/mol. Its IUPAC name is N-[(2-bromocyclohexyl)methyl]cyclopentanesulfonamide.

Molecular Properties

Compound NameN-[(2-bromocyclohexyl)methyl]cyclopentanesulfonamide
PubChem CID105361789
Molecular FormulaC12H22BrNO2S
Molecular Weight324.28 g/mol
Exact Mass323.06
IUPAC NameN-[(2-bromocyclohexyl)methyl]cyclopentanesulfonamide
SMILESO=S(=O)(NCC1CCCCC1Br)C1CCCC1
InChIInChI=1S/C12H22BrNO2S/c13-12-8-4-1-5-10(12)9-14-17(15,16)11-6-2-3-7-11/h10-12,14H,1-9H2
InChIKeyTXAJQQDOTIZPSZ-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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Related Compounds

N-[(2-bromocyclohexyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83058116
N-[(3-bromocyclohexyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 106135946
N-[(4-bromocyclohexyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 106136190
N-(2-bromoethyl)-1-cyclohexylmethanesulfonamide
CID 61453740
N-(3-bromopropyl)-1-cyclohexylmethanesulfonamide
CID 61453741
N-(2-bromocyclopentyl)-1-cyclohexylmethanesulfonamide
CID 80662147
N-[(2-bromocyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide
CID 103521777
N-(4-bromopentan-2-yl)-1-cyclohexylmethanesulfonamide
CID 104111124
N-(2-bromocycloheptyl)-1-cyclohexylmethanesulfonamide
CID 104284166
N-[(2-bromocyclopentyl)methyl]cyclopentanesulfonamide
CID 105361764
N-[1-(bromomethyl)cyclohexyl]cyclopentanesulfonamide
CID 105361765
N-[[2-(bromomethyl)cyclopentyl]methyl]cyclopentanesulfonamide
CID 105361775

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromocyclohexyl)methyl]cyclopentanesulfonamide?
The IUPAC name of N-[(2-bromocyclohexyl)methyl]cyclopentanesulfonamide (CID 105361789) is N-[(2-bromocyclohexyl)methyl]cyclopentanesulfonamide.
What is the SMILES notation for N-[(2-bromocyclohexyl)methyl]cyclopentanesulfonamide?
The canonical SMILES for N-[(2-bromocyclohexyl)methyl]cyclopentanesulfonamide is O=S(=O)(NCC1CCCCC1Br)C1CCCC1.
What is the InChIKey of N-[(2-bromocyclohexyl)methyl]cyclopentanesulfonamide?
The InChIKey is TXAJQQDOTIZPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrNO2S/c13-12-8-4-1-5-10(12)9-14-17(15,16)11-6-2-3-7-11/h10-12,14H,1-9H2.
What are the key properties of N-[(2-bromocyclohexyl)methyl]cyclopentanesulfonamide?
N-[(2-bromocyclohexyl)methyl]cyclopentanesulfonamide 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-[(2-bromocyclohexyl)methyl]cyclopentanesulfonamide is sourced from PubChem (CID 105361789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).