2-bromo-N-[(3-chlorocyclopentyl)methyl]benzenesulfonamide

C12H15BrClNO2S — CID 106135299

IUPAC2-bromo-N-[(3-chlorocyclopentyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1CCC(Cl)C1)c1ccccc1Br
InChIInChI=1S/C12H15BrClNO2S/c13-11-3-1-2-4-12(11)18(16,17)15-8-9-5-6-10(14)7-9/h1-4,9-10,15H,5-8H2
InChIKeyRIJBNTINGMPSOT-UHFFFAOYSA-N
MW352.68 g/mol
LogP3.13
Rot. Bonds4

About 2-bromo-N-[(3-chlorocyclopentyl)methyl]benzenesulfonamide

2-bromo-N-[(3-chlorocyclopentyl)methyl]benzenesulfonamide (PubChem CID 106135299) has the molecular formula C12H15BrClNO2S and a molecular weight of 352.68 g/mol. Its IUPAC name is 2-bromo-N-[(3-chlorocyclopentyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[(3-chlorocyclopentyl)methyl]benzenesulfonamide
PubChem CID106135299
Molecular FormulaC12H15BrClNO2S
Molecular Weight352.68 g/mol
Exact Mass350.97
IUPAC Name2-bromo-N-[(3-chlorocyclopentyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1CCC(Cl)C1)c1ccccc1Br
InChIInChI=1S/C12H15BrClNO2S/c13-11-3-1-2-4-12(11)18(16,17)15-8-9-5-6-10(14)7-9/h1-4,9-10,15H,5-8H2
InChIKeyRIJBNTINGMPSOT-UHFFFAOYSA-N
XLogP3.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.68
LogP ≤ 53.13
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

2-bromo-N-[(3-bromocyclohexyl)methyl]benzenesulfonamide
CID 114148306
2-bromo-N-[(2-chlorocyclohexyl)methyl]benzenesulfonamide
CID 65032937
2-chloro-N-[(3-chlorocyclobutyl)methyl]benzenesulfonamide
CID 66004603
N-[(3-chlorocyclopentyl)methyl]-3-fluorobenzenesulfonamide
CID 106135235
N-[(3-chlorocyclopentyl)methyl]-5-methylthiophene-2-sulfonamide
CID 106135175
2-bromo-N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]benzenesulfonamide
CID 97321593
N-[(3-chlorocyclopentyl)methyl]methanesulfonamide
CID 106135282
N-[(3-chlorocyclobutyl)methyl]benzenesulfonamide
CID 66005680
2-bromo-N-[2-(cyclopropylamino)ethyl]benzenesulfonamide
CID 55100980
4-amino-2-bromo-N-(cyclopropylmethyl)benzenesulfonamide
CID 43255757
2-bromo-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16888184
2-bromo-N-[[4-[(pyridine-3-carbonylamino)carbamoyl]cyclohexyl]methyl]benzenesulfonamide
CID 11191150

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(3-chlorocyclopentyl)methyl]benzenesulfonamide?
The IUPAC name of 2-bromo-N-[(3-chlorocyclopentyl)methyl]benzenesulfonamide (CID 106135299) is 2-bromo-N-[(3-chlorocyclopentyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[(3-chlorocyclopentyl)methyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-N-[(3-chlorocyclopentyl)methyl]benzenesulfonamide is O=S(=O)(NCC1CCC(Cl)C1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[(3-chlorocyclopentyl)methyl]benzenesulfonamide?
The InChIKey is RIJBNTINGMPSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNO2S/c13-11-3-1-2-4-12(11)18(16,17)15-8-9-5-6-10(14)7-9/h1-4,9-10,15H,5-8H2.
What are the key properties of 2-bromo-N-[(3-chlorocyclopentyl)methyl]benzenesulfonamide?
2-bromo-N-[(3-chlorocyclopentyl)methyl]benzenesulfonamide has a molecular weight of 352.68 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(3-chlorocyclopentyl)methyl]benzenesulfonamide is sourced from PubChem (CID 106135299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).