2-bromo-N-(1-cyanocyclopentyl)benzenesulfonamide

C12H13BrN2O2S — CID 60660791

IUPAC2-bromo-N-(1-cyanocyclopentyl)benzenesulfonamide
SMILESN#CC1(NS(=O)(=O)c2ccccc2Br)CCCC1
InChIInChI=1S/C12H13BrN2O2S/c13-10-5-1-2-6-11(10)18(16,17)15-12(9-14)7-3-4-8-12/h1-2,5-6,15H,3-4,7-8H2
InChIKeyWBYFFAFXOYCGQN-UHFFFAOYSA-N
MW329.22 g/mol
LogP2.56
Rot. Bonds3

About 2-bromo-N-(1-cyanocyclopentyl)benzenesulfonamide

2-bromo-N-(1-cyanocyclopentyl)benzenesulfonamide (PubChem CID 60660791) has the molecular formula C12H13BrN2O2S and a molecular weight of 329.22 g/mol. Its IUPAC name is 2-bromo-N-(1-cyanocyclopentyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(1-cyanocyclopentyl)benzenesulfonamide
PubChem CID60660791
Molecular FormulaC12H13BrN2O2S
Molecular Weight329.22 g/mol
Exact Mass327.99
IUPAC Name2-bromo-N-(1-cyanocyclopentyl)benzenesulfonamide
SMILESN#CC1(NS(=O)(=O)c2ccccc2Br)CCCC1
InChIInChI=1S/C12H13BrN2O2S/c13-10-5-1-2-6-11(10)18(16,17)15-12(9-14)7-3-4-8-12/h1-2,5-6,15H,3-4,7-8H2
InChIKeyWBYFFAFXOYCGQN-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(1-cyanocyclohexyl)benzenesulfonamide
CID 60660817
2,4-dibromo-N-(1-cyanocyclobutyl)benzenesulfonamide
CID 61215705
N-(1-cyanocycloheptyl)-2-methoxybenzenesulfonamide
CID 75508306
2-bromo-N-[1-(chloromethyl)cyclopentyl]benzenesulfonamide
CID 65030927
3-bromo-N-(1-cyanocyclooctyl)benzenesulfonamide
CID 61124967
1-[(2-bromophenyl)sulfonylamino]cyclobutane-1-carboxylic acid
CID 71246784
N-(1-cyanocycloheptyl)thiophene-2-sulfonamide
CID 61123105
N-(1-cyanocyclopentyl)-2-phenylethanesulfonamide
CID 79017598
2,5-dichloro-N-(1-cyanocyclopentyl)thiophene-3-sulfonamide
CID 60660889
2-bromo-N-[(3R)-3-cyanopyrrolidin-3-yl]-5-(trifluoromethyl)benzenesulfonamide
CID 68795832
N-(1-cyanocycloheptyl)-3,4-dihydronaphthalene-2-sulfonamide
CID 75458356
5-bromo-N-(1-cyanocyclohexyl)-4-methylthiophene-2-sulfonamide
CID 79987800

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-cyanocyclopentyl)benzenesulfonamide?
The IUPAC name of 2-bromo-N-(1-cyanocyclopentyl)benzenesulfonamide (CID 60660791) is 2-bromo-N-(1-cyanocyclopentyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(1-cyanocyclopentyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-N-(1-cyanocyclopentyl)benzenesulfonamide is N#CC1(NS(=O)(=O)c2ccccc2Br)CCCC1.
What is the InChIKey of 2-bromo-N-(1-cyanocyclopentyl)benzenesulfonamide?
The InChIKey is WBYFFAFXOYCGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2S/c13-10-5-1-2-6-11(10)18(16,17)15-12(9-14)7-3-4-8-12/h1-2,5-6,15H,3-4,7-8H2.
What are the key properties of 2-bromo-N-(1-cyanocyclopentyl)benzenesulfonamide?
2-bromo-N-(1-cyanocyclopentyl)benzenesulfonamide has a molecular weight of 329.22 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1-cyanocyclopentyl)benzenesulfonamide is sourced from PubChem (CID 60660791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).