N-(3-bromo-5-chloro-2-fluorophenyl)cyclopentanesulfonamide

C11H12BrClFNO2S — CID 178178713

IUPACN-(3-bromo-5-chloro-2-fluorophenyl)cyclopentanesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)cc(Br)c1F)C1CCCC1
InChIInChI=1S/C11H12BrClFNO2S/c12-9-5-7(13)6-10(11(9)14)15-18(16,17)8-3-1-2-4-8/h5-6,8,15H,1-4H2
InChIKeyLAXCZELIHDTUNW-UHFFFAOYSA-N
MW356.64 g/mol
LogP3.93
Rot. Bonds3

About N-(3-bromo-5-chloro-2-fluorophenyl)cyclopentanesulfonamide

N-(3-bromo-5-chloro-2-fluorophenyl)cyclopentanesulfonamide (PubChem CID 178178713) has the molecular formula C11H12BrClFNO2S and a molecular weight of 356.64 g/mol. Its IUPAC name is N-(3-bromo-5-chloro-2-fluorophenyl)cyclopentanesulfonamide.

Molecular Properties

Compound NameN-(3-bromo-5-chloro-2-fluorophenyl)cyclopentanesulfonamide
PubChem CID178178713
Molecular FormulaC11H12BrClFNO2S
Molecular Weight356.64 g/mol
Exact Mass354.94
IUPAC NameN-(3-bromo-5-chloro-2-fluorophenyl)cyclopentanesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)cc(Br)c1F)C1CCCC1
InChIInChI=1S/C11H12BrClFNO2S/c12-9-5-7(13)6-10(11(9)14)15-18(16,17)8-3-1-2-4-8/h5-6,8,15H,1-4H2
InChIKeyLAXCZELIHDTUNW-UHFFFAOYSA-N
XLogP3.93
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.64
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-chloro-2-fluorophenyl)cyclopentanesulfonamide?
The IUPAC name of N-(3-bromo-5-chloro-2-fluorophenyl)cyclopentanesulfonamide (CID 178178713) is N-(3-bromo-5-chloro-2-fluorophenyl)cyclopentanesulfonamide.
What is the SMILES notation for N-(3-bromo-5-chloro-2-fluorophenyl)cyclopentanesulfonamide?
The canonical SMILES for N-(3-bromo-5-chloro-2-fluorophenyl)cyclopentanesulfonamide is O=S(=O)(Nc1cc(Cl)cc(Br)c1F)C1CCCC1.
What is the InChIKey of N-(3-bromo-5-chloro-2-fluorophenyl)cyclopentanesulfonamide?
The InChIKey is LAXCZELIHDTUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClFNO2S/c12-9-5-7(13)6-10(11(9)14)15-18(16,17)8-3-1-2-4-8/h5-6,8,15H,1-4H2.
What are the key properties of N-(3-bromo-5-chloro-2-fluorophenyl)cyclopentanesulfonamide?
N-(3-bromo-5-chloro-2-fluorophenyl)cyclopentanesulfonamide has a molecular weight of 356.64 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-chloro-2-fluorophenyl)cyclopentanesulfonamide is sourced from PubChem (CID 178178713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).