4-(bromomethyl)-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide

C14H20BrNO2S — CID 65481827

IUPAC4-(bromomethyl)-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
SMILESCC1(CNS(=O)(=O)c2ccc(CBr)cc2)CCCC1
InChIInChI=1S/C14H20BrNO2S/c1-14(8-2-3-9-14)11-16-19(17,18)13-6-4-12(10-15)5-7-13/h4-7,16H,2-3,8-11H2,1H3
InChIKeyJRXXRMKBZDSHIO-UHFFFAOYSA-N
MW346.29 g/mol
LogP3.44
Rot. Bonds5

About 4-(bromomethyl)-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide

4-(bromomethyl)-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide (PubChem CID 65481827) has the molecular formula C14H20BrNO2S and a molecular weight of 346.29 g/mol. Its IUPAC name is 4-(bromomethyl)-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
PubChem CID65481827
Molecular FormulaC14H20BrNO2S
Molecular Weight346.29 g/mol
Exact Mass345.04
IUPAC Name4-(bromomethyl)-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
SMILESCC1(CNS(=O)(=O)c2ccc(CBr)cc2)CCCC1
InChIInChI=1S/C14H20BrNO2S/c1-14(8-2-3-9-14)11-16-19(17,18)13-6-4-12(10-15)5-7-13/h4-7,16H,2-3,8-11H2,1H3
InChIKeyJRXXRMKBZDSHIO-UHFFFAOYSA-N
XLogP3.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.29
LogP ≤ 53.44
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

4-(bromomethyl)-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
CID 65481634
N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
CID 63822875
4-(2-chloroethyl)-N-[(1-methylcyclobutyl)methyl]benzenesulfonamide
CID 103737625
4-(methylamino)-N-[(1-methylcyclobutyl)methyl]benzenesulfonamide
CID 114108588
N-[(1-methylcyclopentyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 63831451
4-(bromomethyl)-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 65481622
4-(bromomethyl)-N-(4,4-dimethylcyclohexyl)benzenesulfonamide
CID 65481434
4-(bromomethyl)-N-prop-2-ynylbenzenesulfonamide
CID 65480400
N-[[1-(bromomethyl)cyclopropyl]methyl]-4-methylbenzenesulfonamide
CID 115456564
4-tert-butyl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride
CID 120720862
N-[[1-(bromomethyl)cyclohexyl]methyl]-4-methoxybenzenesulfonamide
CID 103969990
4-(2-chloroethyl)-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide
CID 103743776

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide?
The IUPAC name of 4-(bromomethyl)-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide (CID 65481827) is 4-(bromomethyl)-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-(bromomethyl)-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-(bromomethyl)-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide is CC1(CNS(=O)(=O)c2ccc(CBr)cc2)CCCC1.
What is the InChIKey of 4-(bromomethyl)-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide?
The InChIKey is JRXXRMKBZDSHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2S/c1-14(8-2-3-9-14)11-16-19(17,18)13-6-4-12(10-15)5-7-13/h4-7,16H,2-3,8-11H2,1H3.
What are the key properties of 4-(bromomethyl)-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide?
4-(bromomethyl)-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide has a molecular weight of 346.29 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide is sourced from PubChem (CID 65481827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).