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

C19H21NO3S — CID 67744521

IUPAC4-[2-(3-ethoxyphenyl)cyclopenten-1-yl]benzenesulfonamide
SMILESCCOc1cccc(C2=C(c3ccc(S(N)(=O)=O)cc3)CCC2)c1
InChIInChI=1S/C19H21NO3S/c1-2-23-16-6-3-5-15(13-16)19-8-4-7-18(19)14-9-11-17(12-10-14)24(20,21)22/h3,5-6,9-13H,2,4,7-8H2,1H3,(H2,20,21,22)
InChIKeyJPLHYBPORBDMML-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.83
Rot. Bonds5

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

4-[2-(3-ethoxyphenyl)cyclopenten-1-yl]benzenesulfonamide (PubChem CID 67744521) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is 4-[2-(3-ethoxyphenyl)cyclopenten-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(3-ethoxyphenyl)cyclopenten-1-yl]benzenesulfonamide
PubChem CID67744521
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC Name4-[2-(3-ethoxyphenyl)cyclopenten-1-yl]benzenesulfonamide
SMILESCCOc1cccc(C2=C(c3ccc(S(N)(=O)=O)cc3)CCC2)c1
InChIInChI=1S/C19H21NO3S/c1-2-23-16-6-3-5-15(13-16)19-8-4-7-18(19)14-9-11-17(12-10-14)24(20,21)22/h3,5-6,9-13H,2,4,7-8H2,1H3,(H2,20,21,22)
InChIKeyJPLHYBPORBDMML-UHFFFAOYSA-N
XLogP3.83
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.83
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

Decyl(sulfophenoxy)benzenesulfonic acid
CID 89568918
4-(Benzyloxy)benzene-1-sulfonamide
CID 19374444
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
4-[2-(3-Fluoro-4-methoxy-phenyl)-cyclopent-1-enyl]-benzenesulfonamide
CID 10269175
4-[(2,3,4,5,6-Pentafluorophenyl)methoxy]benzenesulfonamide
CID 118729473
4-[(4-Methoxyphenyl)tellanylmethyl]benzenesulfonamide
CID 155523492
4-[(1E,4E)-5-(2,5-dimethoxyphenyl)-3-oxopenta-1,4-dienyl]benzenesulfonamide
CID 155567282
4-{4-[4-(Aminosulfonyl)-3-methylphenoxy]butoxy}-2-methyl-1-benzenesulfonamide
CID 2269187
N-{[4-(Benzyloxy)phenyl](methyl)-lambda4-sulfanylidene}-4-methylbenzenesulfonamide
CID 9583267
4-(2-(4-Methoxyphenyl)cyclopent-1-enyl)benzenesulfonamide
CID 10592466
4-[6-(3-Fluoro-4-methoxy-phenyl)-spiro[2.4]hept-5-en-5-yl]-benzenesulfonamide
CID 10643086

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-ethoxyphenyl)cyclopenten-1-yl]benzenesulfonamide?
The IUPAC name of 4-[2-(3-ethoxyphenyl)cyclopenten-1-yl]benzenesulfonamide (CID 67744521) is 4-[2-(3-ethoxyphenyl)cyclopenten-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(3-ethoxyphenyl)cyclopenten-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-(3-ethoxyphenyl)cyclopenten-1-yl]benzenesulfonamide is CCOc1cccc(C2=C(c3ccc(S(N)(=O)=O)cc3)CCC2)c1.
What is the InChIKey of 4-[2-(3-ethoxyphenyl)cyclopenten-1-yl]benzenesulfonamide?
The InChIKey is JPLHYBPORBDMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3S/c1-2-23-16-6-3-5-15(13-16)19-8-4-7-18(19)14-9-11-17(12-10-14)24(20,21)22/h3,5-6,9-13H,2,4,7-8H2,1H3,(H2,20,21,22).
What are the key properties of 4-[2-(3-ethoxyphenyl)cyclopenten-1-yl]benzenesulfonamide?
4-[2-(3-ethoxyphenyl)cyclopenten-1-yl]benzenesulfonamide has a molecular weight of 343.45 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-ethoxyphenyl)cyclopenten-1-yl]benzenesulfonamide is sourced from PubChem (CID 67744521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).