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

C18H19NO3S — CID 10592466

IUPAC4-[2-(4-methoxyphenyl)cyclopenten-1-yl]benzenesulfonamide
SMILESCOc1ccc(C2=C(c3ccc(S(N)(=O)=O)cc3)CCC2)cc1
InChIInChI=1S/C18H19NO3S/c1-22-15-9-5-13(6-10-15)17-3-2-4-18(17)14-7-11-16(12-8-14)23(19,20)21/h5-12H,2-4H2,1H3,(H2,19,20,21)
InChIKeyYDQYCQZPMXCGMM-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.44
Rot. Bonds4

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

4-[2-(4-methoxyphenyl)cyclopenten-1-yl]benzenesulfonamide (PubChem CID 10592466) has the molecular formula C18H19NO3S and a molecular weight of 329.42 g/mol. Its IUPAC name is 4-[2-(4-methoxyphenyl)cyclopenten-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(4-methoxyphenyl)cyclopenten-1-yl]benzenesulfonamide
PubChem CID10592466
Molecular FormulaC18H19NO3S
Molecular Weight329.42 g/mol
Exact Mass329.11
IUPAC Name4-[2-(4-methoxyphenyl)cyclopenten-1-yl]benzenesulfonamide
SMILESCOc1ccc(C2=C(c3ccc(S(N)(=O)=O)cc3)CCC2)cc1
InChIInChI=1S/C18H19NO3S/c1-22-15-9-5-13(6-10-15)17-3-2-4-18(17)14-7-11-16(12-8-14)23(19,20)21/h5-12H,2-4H2,1H3,(H2,19,20,21)
InChIKeyYDQYCQZPMXCGMM-UHFFFAOYSA-N
XLogP3.44
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-Methoxybenzylidene)-4-methylbenzenesulfonamide
CID 5706325
4-(Benzyloxy)benzene-1-sulfonamide
CID 19374444
Ucm-1306
CID 137364063
1-Methoxy-4-[2-(4-methylsulfonylphenyl)-1-cyclopentenyl]benzene
CID 10131479
4-[6-[4-Methoxyphenyl]spiro[2.4]hept-5-en-5-yl]benzenesulfonamide
CID 10784411
2-Fluoro-4-[2-(4-methanesulfonyl-phenyl)-cyclopent-1-enyl]-1-methoxy-benzene
CID 9902810
4-[2-(3-Chloro-4-methoxy-phenyl)-cyclopent-1-enyl]-benzenesulfonamide
CID 10021647
4-[2-(3-Fluoro-4-methoxy-phenyl)-cyclopent-1-enyl]-benzenesulfonamide
CID 10269175
4-[4,5-Difluoro-2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide
CID 10385880
4-[(4-Methoxyphenyl)tellanylmethyl]benzenesulfonamide
CID 155523492
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 868666
5-(4-Methanesulfonyl-phenyl)-6-(4-methoxy-phenyl)-spiro[2.4]hept-5-ene
CID 10570135

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxyphenyl)cyclopenten-1-yl]benzenesulfonamide?
The IUPAC name of 4-[2-(4-methoxyphenyl)cyclopenten-1-yl]benzenesulfonamide (CID 10592466) is 4-[2-(4-methoxyphenyl)cyclopenten-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(4-methoxyphenyl)cyclopenten-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-(4-methoxyphenyl)cyclopenten-1-yl]benzenesulfonamide is COc1ccc(C2=C(c3ccc(S(N)(=O)=O)cc3)CCC2)cc1.
What is the InChIKey of 4-[2-(4-methoxyphenyl)cyclopenten-1-yl]benzenesulfonamide?
The InChIKey is YDQYCQZPMXCGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3S/c1-22-15-9-5-13(6-10-15)17-3-2-4-18(17)14-7-11-16(12-8-14)23(19,20)21/h5-12H,2-4H2,1H3,(H2,19,20,21).
What are the key properties of 4-[2-(4-methoxyphenyl)cyclopenten-1-yl]benzenesulfonamide?
4-[2-(4-methoxyphenyl)cyclopenten-1-yl]benzenesulfonamide has a molecular weight of 329.42 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methoxyphenyl)cyclopenten-1-yl]benzenesulfonamide is sourced from PubChem (CID 10592466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).