4-[2-(4-chlorophenyl)cyclopenten-1-yl]benzenesulfonamide

C17H16ClNO2S — CID 10268555

IUPAC4-[2-(4-chlorophenyl)cyclopenten-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C2=C(c3ccc(Cl)cc3)CCC2)cc1
InChIInChI=1S/C17H16ClNO2S/c18-14-8-4-12(5-9-14)16-2-1-3-17(16)13-6-10-15(11-7-13)22(19,20)21/h4-11H,1-3H2,(H2,19,20,21)
InChIKeySEOHAKCJVHNLFU-UHFFFAOYSA-N
MW333.84 g/mol
LogP4.08
Rot. Bonds3

About 4-[2-(4-chlorophenyl)cyclopenten-1-yl]benzenesulfonamide

4-[2-(4-chlorophenyl)cyclopenten-1-yl]benzenesulfonamide (PubChem CID 10268555) has the molecular formula C17H16ClNO2S and a molecular weight of 333.84 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)cyclopenten-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)cyclopenten-1-yl]benzenesulfonamide
PubChem CID10268555
Molecular FormulaC17H16ClNO2S
Molecular Weight333.84 g/mol
Exact Mass333.06
IUPAC Name4-[2-(4-chlorophenyl)cyclopenten-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C2=C(c3ccc(Cl)cc3)CCC2)cc1
InChIInChI=1S/C17H16ClNO2S/c18-14-8-4-12(5-9-14)16-2-1-3-17(16)13-6-10-15(11-7-13)22(19,20)21/h4-11H,1-3H2,(H2,19,20,21)
InChIKeySEOHAKCJVHNLFU-UHFFFAOYSA-N
XLogP4.08
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.84
LogP ≤ 54.08
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 4-[2-(4-chlorophenyl)cyclopenten-1-yl]benzenesulfonamide?
The IUPAC name of 4-[2-(4-chlorophenyl)cyclopenten-1-yl]benzenesulfonamide (CID 10268555) is 4-[2-(4-chlorophenyl)cyclopenten-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(4-chlorophenyl)cyclopenten-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-(4-chlorophenyl)cyclopenten-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(C2=C(c3ccc(Cl)cc3)CCC2)cc1.
What is the InChIKey of 4-[2-(4-chlorophenyl)cyclopenten-1-yl]benzenesulfonamide?
The InChIKey is SEOHAKCJVHNLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2S/c18-14-8-4-12(5-9-14)16-2-1-3-17(16)13-6-10-15(11-7-13)22(19,20)21/h4-11H,1-3H2,(H2,19,20,21).
What are the key properties of 4-[2-(4-chlorophenyl)cyclopenten-1-yl]benzenesulfonamide?
4-[2-(4-chlorophenyl)cyclopenten-1-yl]benzenesulfonamide has a molecular weight of 333.84 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)cyclopenten-1-yl]benzenesulfonamide is sourced from PubChem (CID 10268555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).