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

C11H13ClN2O2S — CID 113474918

IUPAC4-amino-2-chloro-N-cyclopent-3-en-1-ylbenzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NC2CC=CC2)c(Cl)c1
InChIInChI=1S/C11H13ClN2O2S/c12-10-7-8(13)5-6-11(10)17(15,16)14-9-3-1-2-4-9/h1-2,5-7,9,14H,3-4,13H2
InChIKeySJAKPRFWFDFIBP-UHFFFAOYSA-N
MW272.76 g/mol
LogP1.92
Rot. Bonds3

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

4-amino-2-chloro-N-cyclopent-3-en-1-ylbenzenesulfonamide (PubChem CID 113474918) has the molecular formula C11H13ClN2O2S and a molecular weight of 272.76 g/mol. Its IUPAC name is 4-amino-2-chloro-N-cyclopent-3-en-1-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-cyclopent-3-en-1-ylbenzenesulfonamide
PubChem CID113474918
Molecular FormulaC11H13ClN2O2S
Molecular Weight272.76 g/mol
Exact Mass272.04
IUPAC Name4-amino-2-chloro-N-cyclopent-3-en-1-ylbenzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NC2CC=CC2)c(Cl)c1
InChIInChI=1S/C11H13ClN2O2S/c12-10-7-8(13)5-6-11(10)17(15,16)14-9-3-1-2-4-9/h1-2,5-7,9,14H,3-4,13H2
InChIKeySJAKPRFWFDFIBP-UHFFFAOYSA-N
XLogP1.92
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.76
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-chloro-N-(3-methylcyclobutyl)benzenesulfonamide
CID 113467087
4-bromo-2-chloro-N-cyclopent-3-en-1-ylbenzenesulfonamide
CID 115695674
4-amino-2-chloro-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 43373446
4-amino-2-chloro-N-(2,2-dimethylcyclohexyl)benzenesulfonamide
CID 79861627
4-amino-2-chloro-N',N'-dimethylbenzenesulfonohydrazide
CID 83012665
5-amino-2-chloro-N-(2,3-dihydro-1H-inden-2-yl)benzenesulfonamide
CID 107843564
4-amino-2-chlorobenzenesulfonamide
CID 12533522
4-amino-2-chloro-N-(2,6-dichlorophenyl)benzenesulfonamide
CID 65470012
4-amino-2-chloro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide
CID 62840437
5-amino-2-chloro-N-(3,4-dimethylcyclohexyl)benzenesulfonamide
CID 64740102
4-amino-2-chloro-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 63726955
4-amino-2-chloro-N-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 83013225

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-cyclopent-3-en-1-ylbenzenesulfonamide?
The IUPAC name of 4-amino-2-chloro-N-cyclopent-3-en-1-ylbenzenesulfonamide (CID 113474918) is 4-amino-2-chloro-N-cyclopent-3-en-1-ylbenzenesulfonamide.
What is the SMILES notation for 4-amino-2-chloro-N-cyclopent-3-en-1-ylbenzenesulfonamide?
The canonical SMILES for 4-amino-2-chloro-N-cyclopent-3-en-1-ylbenzenesulfonamide is Nc1ccc(S(=O)(=O)NC2CC=CC2)c(Cl)c1.
What is the InChIKey of 4-amino-2-chloro-N-cyclopent-3-en-1-ylbenzenesulfonamide?
The InChIKey is SJAKPRFWFDFIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2S/c12-10-7-8(13)5-6-11(10)17(15,16)14-9-3-1-2-4-9/h1-2,5-7,9,14H,3-4,13H2.
What are the key properties of 4-amino-2-chloro-N-cyclopent-3-en-1-ylbenzenesulfonamide?
4-amino-2-chloro-N-cyclopent-3-en-1-ylbenzenesulfonamide has a molecular weight of 272.76 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-cyclopent-3-en-1-ylbenzenesulfonamide is sourced from PubChem (CID 113474918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).