4-bromo-2-chloro-N-cyclopent-3-en-1-ylbenzenesulfonamide

C11H11BrClNO2S — CID 115695674

IUPAC4-bromo-2-chloro-N-cyclopent-3-en-1-ylbenzenesulfonamide
SMILESO=S(=O)(NC1CC=CC1)c1ccc(Br)cc1Cl
InChIInChI=1S/C11H11BrClNO2S/c12-8-5-6-11(10(13)7-8)17(15,16)14-9-3-1-2-4-9/h1-2,5-7,9,14H,3-4H2
InChIKeySHFJEWRSIZMQTK-UHFFFAOYSA-N
MW336.64 g/mol
LogP3.10
Rot. Bonds3

About 4-bromo-2-chloro-N-cyclopent-3-en-1-ylbenzenesulfonamide

4-bromo-2-chloro-N-cyclopent-3-en-1-ylbenzenesulfonamide (PubChem CID 115695674) has the molecular formula C11H11BrClNO2S and a molecular weight of 336.64 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-cyclopent-3-en-1-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-cyclopent-3-en-1-ylbenzenesulfonamide
PubChem CID115695674
Molecular FormulaC11H11BrClNO2S
Molecular Weight336.64 g/mol
Exact Mass334.94
IUPAC Name4-bromo-2-chloro-N-cyclopent-3-en-1-ylbenzenesulfonamide
SMILESO=S(=O)(NC1CC=CC1)c1ccc(Br)cc1Cl
InChIInChI=1S/C11H11BrClNO2S/c12-8-5-6-11(10(13)7-8)17(15,16)14-9-3-1-2-4-9/h1-2,5-7,9,14H,3-4H2
InChIKeySHFJEWRSIZMQTK-UHFFFAOYSA-N
XLogP3.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.64
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(azetidin-3-yl)-4-bromo-2-chlorobenzenesulfonamide
CID 66186086
4-amino-2-chloro-N-cyclopent-3-en-1-ylbenzenesulfonamide
CID 113474918
4-bromo-2-chloro-N-(oxan-3-yl)benzenesulfonamide
CID 63362034
4-bromo-2-chloro-N-(2-methylcyclohexyl)benzenesulfonamide
CID 60640100
4-bromo-2-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide
CID 114631524
4-bromo-2-chloro-N-(2-cyanocyclopentyl)benzenesulfonamide
CID 62963448
N-[2-(aminomethyl)cyclopentyl]-4-bromo-2-chlorobenzenesulfonamide;hydrochloride
CID 119985581
4-bromo-2-chloro-N-(2,2-dimethylcyclohexyl)benzenesulfonamide
CID 79872495
4-bromo-2-chloro-N-(1,3-dihydroxypropan-2-yl)benzenesulfonamide
CID 65313988
5-bromo-2-chloro-N-piperidin-4-ylbenzenesulfonamide
CID 119960783
4-bromo-2-chloro-N-(cyclopentylmethyl)benzenesulfonamide
CID 46406690
4-bromo-2-chloro-N-(1-cyclopropylethyl)benzenesulfonamide
CID 47113577

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-cyclopent-3-en-1-ylbenzenesulfonamide?
The IUPAC name of 4-bromo-2-chloro-N-cyclopent-3-en-1-ylbenzenesulfonamide (CID 115695674) is 4-bromo-2-chloro-N-cyclopent-3-en-1-ylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-2-chloro-N-cyclopent-3-en-1-ylbenzenesulfonamide?
The canonical SMILES for 4-bromo-2-chloro-N-cyclopent-3-en-1-ylbenzenesulfonamide is O=S(=O)(NC1CC=CC1)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-cyclopent-3-en-1-ylbenzenesulfonamide?
The InChIKey is SHFJEWRSIZMQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClNO2S/c12-8-5-6-11(10(13)7-8)17(15,16)14-9-3-1-2-4-9/h1-2,5-7,9,14H,3-4H2.
What are the key properties of 4-bromo-2-chloro-N-cyclopent-3-en-1-ylbenzenesulfonamide?
4-bromo-2-chloro-N-cyclopent-3-en-1-ylbenzenesulfonamide has a molecular weight of 336.64 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-cyclopent-3-en-1-ylbenzenesulfonamide is sourced from PubChem (CID 115695674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).