N-(2-bromocyclopentyl)-3-chlorobenzenesulfonamide

C11H13BrClNO2S — CID 80661956

IUPACN-(2-bromocyclopentyl)-3-chlorobenzenesulfonamide
SMILESO=S(=O)(NC1CCCC1Br)c1cccc(Cl)c1
InChIInChI=1S/C11H13BrClNO2S/c12-10-5-2-6-11(10)14-17(15,16)9-4-1-3-8(13)7-9/h1,3-4,7,10-11,14H,2,5-6H2
InChIKeyTVUSYXHKDOKMLR-UHFFFAOYSA-N
MW338.65 g/mol
LogP2.93
Rot. Bonds3

About N-(2-bromocyclopentyl)-3-chlorobenzenesulfonamide

N-(2-bromocyclopentyl)-3-chlorobenzenesulfonamide (PubChem CID 80661956) has the molecular formula C11H13BrClNO2S and a molecular weight of 338.65 g/mol. Its IUPAC name is N-(2-bromocyclopentyl)-3-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromocyclopentyl)-3-chlorobenzenesulfonamide
PubChem CID80661956
Molecular FormulaC11H13BrClNO2S
Molecular Weight338.65 g/mol
Exact Mass336.95
IUPAC NameN-(2-bromocyclopentyl)-3-chlorobenzenesulfonamide
SMILESO=S(=O)(NC1CCCC1Br)c1cccc(Cl)c1
InChIInChI=1S/C11H13BrClNO2S/c12-10-5-2-6-11(10)14-17(15,16)9-4-1-3-8(13)7-9/h1,3-4,7,10-11,14H,2,5-6H2
InChIKeyTVUSYXHKDOKMLR-UHFFFAOYSA-N
XLogP2.93
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.65
LogP ≤ 52.93
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

N-(2-bromocyclohexyl)-3,5-dichlorobenzenesulfonamide
CID 114297364
N-(2-bromocyclopentyl)benzenesulfonamide
CID 18999501
3-bromo-N-(2-bromocyclopentyl)-4-chlorobenzenesulfonamide
CID 106606229
N-(2-bromocyclohexyl)-3-nitrobenzenesulfonamide
CID 106441042
N-(2-bromocyclohexyl)-3,4-dimethylbenzenesulfonamide
CID 114297346
3-chloro-N-(2,3-dihydro-1H-inden-2-yl)benzenesulfonamide
CID 2823472
3-chloro-N-(3-chlorophenyl)sulfonylbenzenesulfonamide
CID 18537457
3-chloro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685888
3-chloro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964195
N-[(1S,2R)-2-bromocyclohexyl]-4-methylbenzenesulfonamide
CID 134933905
3-chloro-N-(cyclopentylmethyl)benzenesulfonamide
CID 43066015
N-(2-bromocyclopentyl)-5-chlorothiophene-2-sulfonamide
CID 80662650

Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclopentyl)-3-chlorobenzenesulfonamide?
The IUPAC name of N-(2-bromocyclopentyl)-3-chlorobenzenesulfonamide (CID 80661956) is N-(2-bromocyclopentyl)-3-chlorobenzenesulfonamide.
What is the SMILES notation for N-(2-bromocyclopentyl)-3-chlorobenzenesulfonamide?
The canonical SMILES for N-(2-bromocyclopentyl)-3-chlorobenzenesulfonamide is O=S(=O)(NC1CCCC1Br)c1cccc(Cl)c1.
What is the InChIKey of N-(2-bromocyclopentyl)-3-chlorobenzenesulfonamide?
The InChIKey is TVUSYXHKDOKMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO2S/c12-10-5-2-6-11(10)14-17(15,16)9-4-1-3-8(13)7-9/h1,3-4,7,10-11,14H,2,5-6H2.
What are the key properties of N-(2-bromocyclopentyl)-3-chlorobenzenesulfonamide?
N-(2-bromocyclopentyl)-3-chlorobenzenesulfonamide has a molecular weight of 338.65 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclopentyl)-3-chlorobenzenesulfonamide is sourced from PubChem (CID 80661956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).