N-(2-bromocyclopentyl)-4-cyanobenzenesulfonamide

C12H13BrN2O2S — CID 80662442

IUPACN-(2-bromocyclopentyl)-4-cyanobenzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NC2CCCC2Br)cc1
InChIInChI=1S/C12H13BrN2O2S/c13-11-2-1-3-12(11)15-18(16,17)10-6-4-9(8-14)5-7-10/h4-7,11-12,15H,1-3H2
InChIKeyLWMPNRKHKZYINZ-UHFFFAOYSA-N
MW329.22 g/mol
LogP2.15
Rot. Bonds3

About N-(2-bromocyclopentyl)-4-cyanobenzenesulfonamide

N-(2-bromocyclopentyl)-4-cyanobenzenesulfonamide (PubChem CID 80662442) has the molecular formula C12H13BrN2O2S and a molecular weight of 329.22 g/mol. Its IUPAC name is N-(2-bromocyclopentyl)-4-cyanobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromocyclopentyl)-4-cyanobenzenesulfonamide
PubChem CID80662442
Molecular FormulaC12H13BrN2O2S
Molecular Weight329.22 g/mol
Exact Mass327.99
IUPAC NameN-(2-bromocyclopentyl)-4-cyanobenzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NC2CCCC2Br)cc1
InChIInChI=1S/C12H13BrN2O2S/c13-11-2-1-3-12(11)15-18(16,17)10-6-4-9(8-14)5-7-10/h4-7,11-12,15H,1-3H2
InChIKeyLWMPNRKHKZYINZ-UHFFFAOYSA-N
XLogP2.15
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.22
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-cyano-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]benzenesulfonamide
CID 11928439
4-cyano-N-cyclobutylbenzenesulfonamide
CID 25047960
N-(2-bromocyclopentyl)benzenesulfonamide
CID 18999501
N-(2-bromocyclohexyl)-1-(4-cyanophenyl)methanesulfonamide
CID 106441026
N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-4-cyanobenzenesulfonamide
CID 97056156
N-[(1S,2R)-2-bromocyclohexyl]-4-methylbenzenesulfonamide
CID 134933905
N-(2-bromocyclohexyl)-4-nitrobenzenesulfonamide
CID 106441050
4-cyano-N-[4-(cyclopropylsulfamoyl)phenyl]benzenesulfonamide
CID 24602920
4-cyano-N-[(1S,2S,3R)-2-hydroxy-3-(N-phenylanilino)cyclohexyl]benzenesulfonamide
CID 126674416
3-bromo-N-(2-bromocyclopentyl)-4-chlorobenzenesulfonamide
CID 106606229
4-cyano-N-cyclopent-3-en-1-ylbenzenesulfonamide
CID 113256895
4-cyano-N-[(3R)-piperidin-3-yl]benzenesulfonamide
CID 104645700

Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclopentyl)-4-cyanobenzenesulfonamide?
The IUPAC name of N-(2-bromocyclopentyl)-4-cyanobenzenesulfonamide (CID 80662442) is N-(2-bromocyclopentyl)-4-cyanobenzenesulfonamide.
What is the SMILES notation for N-(2-bromocyclopentyl)-4-cyanobenzenesulfonamide?
The canonical SMILES for N-(2-bromocyclopentyl)-4-cyanobenzenesulfonamide is N#Cc1ccc(S(=O)(=O)NC2CCCC2Br)cc1.
What is the InChIKey of N-(2-bromocyclopentyl)-4-cyanobenzenesulfonamide?
The InChIKey is LWMPNRKHKZYINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2S/c13-11-2-1-3-12(11)15-18(16,17)10-6-4-9(8-14)5-7-10/h4-7,11-12,15H,1-3H2.
What are the key properties of N-(2-bromocyclopentyl)-4-cyanobenzenesulfonamide?
N-(2-bromocyclopentyl)-4-cyanobenzenesulfonamide has a molecular weight of 329.22 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclopentyl)-4-cyanobenzenesulfonamide is sourced from PubChem (CID 80662442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).