N-[1-(bromomethyl)cyclopentyl]benzenesulfonamide

C12H16BrNO2S — CID 114297176

IUPACN-[1-(bromomethyl)cyclopentyl]benzenesulfonamide
SMILESO=S(=O)(NC1(CBr)CCCC1)c1ccccc1
InChIInChI=1S/C12H16BrNO2S/c13-10-12(8-4-5-9-12)14-17(15,16)11-6-2-1-3-7-11/h1-3,6-7,14H,4-5,8-10H2
InChIKeyYEAOWIZAHPSSRD-UHFFFAOYSA-N
MW318.24 g/mol
LogP2.67
Rot. Bonds4

About N-[1-(bromomethyl)cyclopentyl]benzenesulfonamide

N-[1-(bromomethyl)cyclopentyl]benzenesulfonamide (PubChem CID 114297176) has the molecular formula C12H16BrNO2S and a molecular weight of 318.24 g/mol. Its IUPAC name is N-[1-(bromomethyl)cyclopentyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)cyclopentyl]benzenesulfonamide
PubChem CID114297176
Molecular FormulaC12H16BrNO2S
Molecular Weight318.24 g/mol
Exact Mass317.01
IUPAC NameN-[1-(bromomethyl)cyclopentyl]benzenesulfonamide
SMILESO=S(=O)(NC1(CBr)CCCC1)c1ccccc1
InChIInChI=1S/C12H16BrNO2S/c13-10-12(8-4-5-9-12)14-17(15,16)11-6-2-1-3-7-11/h1-3,6-7,14H,4-5,8-10H2
InChIKeyYEAOWIZAHPSSRD-UHFFFAOYSA-N
XLogP2.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 52.67
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-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 65481622
5-bromo-N-[1-(bromomethyl)cyclopentyl]thiophene-2-sulfonamide
CID 114297084
N-[1-(bromomethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide
CID 114293726
5-bromo-N-[1-(bromomethyl)cyclohexyl]thiophene-2-sulfonamide
CID 114293728
N-[1-(bromomethyl)cyclopentyl]-3-fluoropyridine-2-sulfonamide
CID 103308349
3-bromo-N-[1-(bromomethyl)cyclohexyl]thiophene-2-sulfonamide
CID 113271024
4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 62519723
N-(1-methylcyclopropyl)benzenesulfonamide
CID 67608807
N-[1-(aminomethyl)cyclopentyl]-3-bromobenzenesulfonamide;hydrochloride
CID 119980920
4-ethyl-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 55082213
N-[1-(aminomethyl)cyclopentyl]-3-ethylbenzenesulfonamide
CID 119981024
4-[[1-(hydroxymethyl)cyclopentyl]sulfamoyl]benzamide
CID 62522485

Frequently Asked Questions

What is the IUPAC name of N-[1-(bromomethyl)cyclopentyl]benzenesulfonamide?
The IUPAC name of N-[1-(bromomethyl)cyclopentyl]benzenesulfonamide (CID 114297176) is N-[1-(bromomethyl)cyclopentyl]benzenesulfonamide.
What is the SMILES notation for N-[1-(bromomethyl)cyclopentyl]benzenesulfonamide?
The canonical SMILES for N-[1-(bromomethyl)cyclopentyl]benzenesulfonamide is O=S(=O)(NC1(CBr)CCCC1)c1ccccc1.
What is the InChIKey of N-[1-(bromomethyl)cyclopentyl]benzenesulfonamide?
The InChIKey is YEAOWIZAHPSSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2S/c13-10-12(8-4-5-9-12)14-17(15,16)11-6-2-1-3-7-11/h1-3,6-7,14H,4-5,8-10H2.
What are the key properties of N-[1-(bromomethyl)cyclopentyl]benzenesulfonamide?
N-[1-(bromomethyl)cyclopentyl]benzenesulfonamide has a molecular weight of 318.24 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(bromomethyl)cyclopentyl]benzenesulfonamide is sourced from PubChem (CID 114297176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).