2-[2-(3-chloro-4-fluorophenyl)cyclopenten-1-yl]benzenesulfonamide

C17H15ClFNO2S — CID 23033161

IUPAC2-[2-(3-chloro-4-fluorophenyl)cyclopenten-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1C1=C(c2ccc(F)c(Cl)c2)CCC1
InChIInChI=1S/C17H15ClFNO2S/c18-15-10-11(8-9-16(15)19)12-5-3-6-13(12)14-4-1-2-7-17(14)23(20,21)22/h1-2,4,7-10H,3,5-6H2,(H2,20,21,22)
InChIKeyAIROBFHPTYUBGY-UHFFFAOYSA-N
MW351.83 g/mol
LogP4.22
Rot. Bonds3

About 2-[2-(3-chloro-4-fluorophenyl)cyclopenten-1-yl]benzenesulfonamide

2-[2-(3-chloro-4-fluorophenyl)cyclopenten-1-yl]benzenesulfonamide (PubChem CID 23033161) has the molecular formula C17H15ClFNO2S and a molecular weight of 351.83 g/mol. Its IUPAC name is 2-[2-(3-chloro-4-fluorophenyl)cyclopenten-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-[2-(3-chloro-4-fluorophenyl)cyclopenten-1-yl]benzenesulfonamide
PubChem CID23033161
Molecular FormulaC17H15ClFNO2S
Molecular Weight351.83 g/mol
Exact Mass351.05
IUPAC Name2-[2-(3-chloro-4-fluorophenyl)cyclopenten-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1C1=C(c2ccc(F)c(Cl)c2)CCC1
InChIInChI=1S/C17H15ClFNO2S/c18-15-10-11(8-9-16(15)19)12-5-3-6-13(12)14-4-1-2-7-17(14)23(20,21)22/h1-2,4,7-10H,3,5-6H2,(H2,20,21,22)
InChIKeyAIROBFHPTYUBGY-UHFFFAOYSA-N
XLogP4.22
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.83
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chloro-4-fluorophenyl)cyclopenten-1-yl]benzenesulfonamide?
The IUPAC name of 2-[2-(3-chloro-4-fluorophenyl)cyclopenten-1-yl]benzenesulfonamide (CID 23033161) is 2-[2-(3-chloro-4-fluorophenyl)cyclopenten-1-yl]benzenesulfonamide.
What is the SMILES notation for 2-[2-(3-chloro-4-fluorophenyl)cyclopenten-1-yl]benzenesulfonamide?
The canonical SMILES for 2-[2-(3-chloro-4-fluorophenyl)cyclopenten-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccccc1C1=C(c2ccc(F)c(Cl)c2)CCC1.
What is the InChIKey of 2-[2-(3-chloro-4-fluorophenyl)cyclopenten-1-yl]benzenesulfonamide?
The InChIKey is AIROBFHPTYUBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNO2S/c18-15-10-11(8-9-16(15)19)12-5-3-6-13(12)14-4-1-2-7-17(14)23(20,21)22/h1-2,4,7-10H,3,5-6H2,(H2,20,21,22).
What are the key properties of 2-[2-(3-chloro-4-fluorophenyl)cyclopenten-1-yl]benzenesulfonamide?
2-[2-(3-chloro-4-fluorophenyl)cyclopenten-1-yl]benzenesulfonamide has a molecular weight of 351.83 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chloro-4-fluorophenyl)cyclopenten-1-yl]benzenesulfonamide is sourced from PubChem (CID 23033161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).