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

C18H19NO3S — CID 22917379

IUPAC4-[2-(3-methoxyphenyl)cyclopenten-1-yl]benzenesulfonamide
SMILESCOc1cccc(C2=C(c3ccc(S(N)(=O)=O)cc3)CCC2)c1
InChIInChI=1S/C18H19NO3S/c1-22-15-5-2-4-14(12-15)18-7-3-6-17(18)13-8-10-16(11-9-13)23(19,20)21/h2,4-5,8-12H,3,6-7H2,1H3,(H2,19,20,21)
InChIKeyTYFGNDKPLSQLLX-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.44
Rot. Bonds4

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

4-[2-(3-methoxyphenyl)cyclopenten-1-yl]benzenesulfonamide (PubChem CID 22917379) has the molecular formula C18H19NO3S and a molecular weight of 329.42 g/mol. Its IUPAC name is 4-[2-(3-methoxyphenyl)cyclopenten-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(3-methoxyphenyl)cyclopenten-1-yl]benzenesulfonamide
PubChem CID22917379
Molecular FormulaC18H19NO3S
Molecular Weight329.42 g/mol
Exact Mass329.11
IUPAC Name4-[2-(3-methoxyphenyl)cyclopenten-1-yl]benzenesulfonamide
SMILESCOc1cccc(C2=C(c3ccc(S(N)(=O)=O)cc3)CCC2)c1
InChIInChI=1S/C18H19NO3S/c1-22-15-5-2-4-14(12-15)18-7-3-6-17(18)13-8-10-16(11-9-13)23(19,20)21/h2,4-5,8-12H,3,6-7H2,1H3,(H2,19,20,21)
InChIKeyTYFGNDKPLSQLLX-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

4-[2-(3-ethoxyphenyl)cyclopenten-1-yl]benzenesulfonamide
CID 67744521
4-[2-[4-(methoxymethyl)phenyl]cyclopenten-1-yl]benzenesulfonamide
CID 22917367
4-[2-(3,4-difluorophenyl)cyclopenten-1-yl]benzenesulfonamide
CID 10616776
3-methoxybenzenesulfonamide
CID 14763060
3-methoxybenzenesulfonamide;hydrochloride
CID 141115301
1-methoxy-4-(2-phenylcyclopenten-1-yl)benzene
CID 13444266
2-[(dimethylamino)methyl]-3-(3-methoxyphenyl)cyclohex-2-en-1-one
CID 18753190
potassium;hydride;4-methoxybenzenesulfonamide
CID 173359933
1-fluoro-2-methoxy-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene
CID 22917666
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
4-[2-(6-chloro-5-fluoro-3-pyridinyl)cyclopenten-1-yl]benzenesulfonamide
CID 22917706

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methoxyphenyl)cyclopenten-1-yl]benzenesulfonamide?
The IUPAC name of 4-[2-(3-methoxyphenyl)cyclopenten-1-yl]benzenesulfonamide (CID 22917379) is 4-[2-(3-methoxyphenyl)cyclopenten-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(3-methoxyphenyl)cyclopenten-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-(3-methoxyphenyl)cyclopenten-1-yl]benzenesulfonamide is COc1cccc(C2=C(c3ccc(S(N)(=O)=O)cc3)CCC2)c1.
What is the InChIKey of 4-[2-(3-methoxyphenyl)cyclopenten-1-yl]benzenesulfonamide?
The InChIKey is TYFGNDKPLSQLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3S/c1-22-15-5-2-4-14(12-15)18-7-3-6-17(18)13-8-10-16(11-9-13)23(19,20)21/h2,4-5,8-12H,3,6-7H2,1H3,(H2,19,20,21).
What are the key properties of 4-[2-(3-methoxyphenyl)cyclopenten-1-yl]benzenesulfonamide?
4-[2-(3-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-(3-methoxyphenyl)cyclopenten-1-yl]benzenesulfonamide is sourced from PubChem (CID 22917379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).