4-[2-(1,3-benzodioxol-5-yl)cyclopenten-1-yl]benzenesulfonamide

C18H17NO4S — CID 10665073

IUPAC4-[2-(1,3-benzodioxol-5-yl)cyclopenten-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C2=C(c3ccc4c(c3)OCO4)CCC2)cc1
InChIInChI=1S/C18H17NO4S/c19-24(20,21)14-7-4-12(5-8-14)15-2-1-3-16(15)13-6-9-17-18(10-13)23-11-22-17/h4-10H,1-3,11H2,(H2,19,20,21)
InChIKeyUSMIRTDURJPRPN-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.16
Rot. Bonds3

About 4-[2-(1,3-benzodioxol-5-yl)cyclopenten-1-yl]benzenesulfonamide

4-[2-(1,3-benzodioxol-5-yl)cyclopenten-1-yl]benzenesulfonamide (PubChem CID 10665073) has the molecular formula C18H17NO4S and a molecular weight of 343.40 g/mol. Its IUPAC name is 4-[2-(1,3-benzodioxol-5-yl)cyclopenten-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(1,3-benzodioxol-5-yl)cyclopenten-1-yl]benzenesulfonamide
PubChem CID10665073
Molecular FormulaC18H17NO4S
Molecular Weight343.40 g/mol
Exact Mass343.09
IUPAC Name4-[2-(1,3-benzodioxol-5-yl)cyclopenten-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C2=C(c3ccc4c(c3)OCO4)CCC2)cc1
InChIInChI=1S/C18H17NO4S/c19-24(20,21)14-7-4-12(5-8-14)15-2-1-3-16(15)13-6-9-17-18(10-13)23-11-22-17/h4-10H,1-3,11H2,(H2,19,20,21)
InChIKeyUSMIRTDURJPRPN-UHFFFAOYSA-N
XLogP3.16
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(1,3-benzodioxol-5-yl)cyclopenten-1-yl]benzenesulfonamide?
The IUPAC name of 4-[2-(1,3-benzodioxol-5-yl)cyclopenten-1-yl]benzenesulfonamide (CID 10665073) is 4-[2-(1,3-benzodioxol-5-yl)cyclopenten-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(1,3-benzodioxol-5-yl)cyclopenten-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-(1,3-benzodioxol-5-yl)cyclopenten-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(C2=C(c3ccc4c(c3)OCO4)CCC2)cc1.
What is the InChIKey of 4-[2-(1,3-benzodioxol-5-yl)cyclopenten-1-yl]benzenesulfonamide?
The InChIKey is USMIRTDURJPRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4S/c19-24(20,21)14-7-4-12(5-8-14)15-2-1-3-16(15)13-6-9-17-18(10-13)23-11-22-17/h4-10H,1-3,11H2,(H2,19,20,21).
What are the key properties of 4-[2-(1,3-benzodioxol-5-yl)cyclopenten-1-yl]benzenesulfonamide?
4-[2-(1,3-benzodioxol-5-yl)cyclopenten-1-yl]benzenesulfonamide has a molecular weight of 343.40 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,3-benzodioxol-5-yl)cyclopenten-1-yl]benzenesulfonamide is sourced from PubChem (CID 10665073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).