4-[2-[4-(methoxymethyl)phenyl]cyclopenten-1-yl]benzenesulfonamide

C19H21NO3S — CID 22917367

IUPAC4-[2-[4-(methoxymethyl)phenyl]cyclopenten-1-yl]benzenesulfonamide
SMILESCOCc1ccc(C2=C(c3ccc(S(N)(=O)=O)cc3)CCC2)cc1
InChIInChI=1S/C19H21NO3S/c1-23-13-14-5-7-15(8-6-14)18-3-2-4-19(18)16-9-11-17(12-10-16)24(20,21)22/h5-12H,2-4,13H2,1H3,(H2,20,21,22)
InChIKeyJYUIJVONKMYAIY-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.58
Rot. Bonds5

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

4-[2-[4-(methoxymethyl)phenyl]cyclopenten-1-yl]benzenesulfonamide (PubChem CID 22917367) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is 4-[2-[4-(methoxymethyl)phenyl]cyclopenten-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[4-(methoxymethyl)phenyl]cyclopenten-1-yl]benzenesulfonamide
PubChem CID22917367
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC Name4-[2-[4-(methoxymethyl)phenyl]cyclopenten-1-yl]benzenesulfonamide
SMILESCOCc1ccc(C2=C(c3ccc(S(N)(=O)=O)cc3)CCC2)cc1
InChIInChI=1S/C19H21NO3S/c1-23-13-14-5-7-15(8-6-14)18-3-2-4-19(18)16-9-11-17(12-10-16)24(20,21)22/h5-12H,2-4,13H2,1H3,(H2,20,21,22)
InChIKeyJYUIJVONKMYAIY-UHFFFAOYSA-N
XLogP3.58
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 ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(methoxymethyl)phenyl]cyclopenten-1-yl]benzenesulfonamide?
The IUPAC name of 4-[2-[4-(methoxymethyl)phenyl]cyclopenten-1-yl]benzenesulfonamide (CID 22917367) is 4-[2-[4-(methoxymethyl)phenyl]cyclopenten-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[4-(methoxymethyl)phenyl]cyclopenten-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-[4-(methoxymethyl)phenyl]cyclopenten-1-yl]benzenesulfonamide is COCc1ccc(C2=C(c3ccc(S(N)(=O)=O)cc3)CCC2)cc1.
What is the InChIKey of 4-[2-[4-(methoxymethyl)phenyl]cyclopenten-1-yl]benzenesulfonamide?
The InChIKey is JYUIJVONKMYAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3S/c1-23-13-14-5-7-15(8-6-14)18-3-2-4-19(18)16-9-11-17(12-10-16)24(20,21)22/h5-12H,2-4,13H2,1H3,(H2,20,21,22).
What are the key properties of 4-[2-[4-(methoxymethyl)phenyl]cyclopenten-1-yl]benzenesulfonamide?
4-[2-[4-(methoxymethyl)phenyl]cyclopenten-1-yl]benzenesulfonamide has a molecular weight of 343.45 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(methoxymethyl)phenyl]cyclopenten-1-yl]benzenesulfonamide is sourced from PubChem (CID 22917367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).