3-bromo-N-(2-bromocyclopentyl)-4-chlorobenzenesulfonamide

C11H12Br2ClNO2S — CID 106606229

IUPAC3-bromo-N-(2-bromocyclopentyl)-4-chlorobenzenesulfonamide
SMILESO=S(=O)(NC1CCCC1Br)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C11H12Br2ClNO2S/c12-8-2-1-3-11(8)15-18(16,17)7-4-5-10(14)9(13)6-7/h4-6,8,11,15H,1-3H2
InChIKeyUJISODKMLINWRJ-UHFFFAOYSA-N
MW417.55 g/mol
LogP3.70
Rot. Bonds3

About 3-bromo-N-(2-bromocyclopentyl)-4-chlorobenzenesulfonamide

3-bromo-N-(2-bromocyclopentyl)-4-chlorobenzenesulfonamide (PubChem CID 106606229) has the molecular formula C11H12Br2ClNO2S and a molecular weight of 417.55 g/mol. Its IUPAC name is 3-bromo-N-(2-bromocyclopentyl)-4-chlorobenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-(2-bromocyclopentyl)-4-chlorobenzenesulfonamide
PubChem CID106606229
Molecular FormulaC11H12Br2ClNO2S
Molecular Weight417.55 g/mol
Exact Mass414.86
IUPAC Name3-bromo-N-(2-bromocyclopentyl)-4-chlorobenzenesulfonamide
SMILESO=S(=O)(NC1CCCC1Br)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C11H12Br2ClNO2S/c12-8-2-1-3-11(8)15-18(16,17)7-4-5-10(14)9(13)6-7/h4-6,8,11,15H,1-3H2
InChIKeyUJISODKMLINWRJ-UHFFFAOYSA-N
XLogP3.70
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 53.70
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

3-bromo-4-chloro-N-(2-methylcyclopentyl)benzenesulfonamide
CID 106612264
3-bromo-4-chloro-N-(2-hydroxycyclohexyl)benzenesulfonamide
CID 106546192
N-(2-bromocyclopentyl)-3-chlorobenzenesulfonamide
CID 80661956
N-(2-bromocyclohexyl)-3,5-dichlorobenzenesulfonamide
CID 114297364
3-bromo-4-chloro-N-(3-methylcyclohexyl)benzenesulfonamide
CID 106610863
N-(2-bromocyclohexyl)-3,4-dimethylbenzenesulfonamide
CID 114297346
N-(2-bromocyclopentyl)benzenesulfonamide
CID 18999501
N-(2-aminocyclopentyl)-3,4-dichlorobenzenesulfonamide
CID 63252169
4-bromo-3-chloro-N-(2-hydroxycyclohexyl)benzenesulfonamide
CID 134367119
3-bromo-4-chloro-N-[(3R)-piperidin-3-yl]benzenesulfonamide
CID 106606906
N-[(1S,2R)-2-bromocyclohexyl]-4-methylbenzenesulfonamide
CID 134933905
3,4-dichloro-N-(2-chlorocyclohexyl)benzenesulfonamide
CID 65030631

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-bromocyclopentyl)-4-chlorobenzenesulfonamide?
The IUPAC name of 3-bromo-N-(2-bromocyclopentyl)-4-chlorobenzenesulfonamide (CID 106606229) is 3-bromo-N-(2-bromocyclopentyl)-4-chlorobenzenesulfonamide.
What is the SMILES notation for 3-bromo-N-(2-bromocyclopentyl)-4-chlorobenzenesulfonamide?
The canonical SMILES for 3-bromo-N-(2-bromocyclopentyl)-4-chlorobenzenesulfonamide is O=S(=O)(NC1CCCC1Br)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-N-(2-bromocyclopentyl)-4-chlorobenzenesulfonamide?
The InChIKey is UJISODKMLINWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2ClNO2S/c12-8-2-1-3-11(8)15-18(16,17)7-4-5-10(14)9(13)6-7/h4-6,8,11,15H,1-3H2.
What are the key properties of 3-bromo-N-(2-bromocyclopentyl)-4-chlorobenzenesulfonamide?
3-bromo-N-(2-bromocyclopentyl)-4-chlorobenzenesulfonamide has a molecular weight of 417.55 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-bromocyclopentyl)-4-chlorobenzenesulfonamide is sourced from PubChem (CID 106606229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).