2-[1-[2-(benzenesulfonyl)ethyl]cyclopropyl]-2-pentyl-1,3-dioxolane

C19H28O4S — CID 22042462

IUPAC2-[1-[2-(benzenesulfonyl)ethyl]cyclopropyl]-2-pentyl-1,3-dioxolane
SMILESCCCCCC1(C2(CCS(=O)(=O)c3ccccc3)CC2)OCCO1
InChIInChI=1S/C19H28O4S/c1-2-3-7-10-19(22-14-15-23-19)18(11-12-18)13-16-24(20,21)17-8-5-4-6-9-17/h4-6,8-9H,2-3,7,10-16H2,1H3
InChIKeyNDHGCPCEYIEYQZ-UHFFFAOYSA-N
MW352.50 g/mol
LogP3.95
Rot. Bonds9

About 2-[1-[2-(benzenesulfonyl)ethyl]cyclopropyl]-2-pentyl-1,3-dioxolane

2-[1-[2-(benzenesulfonyl)ethyl]cyclopropyl]-2-pentyl-1,3-dioxolane (PubChem CID 22042462) has the molecular formula C19H28O4S and a molecular weight of 352.50 g/mol. Its IUPAC name is 2-[1-[2-(benzenesulfonyl)ethyl]cyclopropyl]-2-pentyl-1,3-dioxolane.

Molecular Properties

Compound Name2-[1-[2-(benzenesulfonyl)ethyl]cyclopropyl]-2-pentyl-1,3-dioxolane
PubChem CID22042462
Molecular FormulaC19H28O4S
Molecular Weight352.50 g/mol
Exact Mass352.17
IUPAC Name2-[1-[2-(benzenesulfonyl)ethyl]cyclopropyl]-2-pentyl-1,3-dioxolane
SMILESCCCCCC1(C2(CCS(=O)(=O)c3ccccc3)CC2)OCCO1
InChIInChI=1S/C19H28O4S/c1-2-3-7-10-19(22-14-15-23-19)18(11-12-18)13-16-24(20,21)17-8-5-4-6-9-17/h4-6,8-9H,2-3,7,10-16H2,1H3
InChIKeyNDHGCPCEYIEYQZ-UHFFFAOYSA-N
XLogP3.95
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(benzenesulfonyl)ethyl]cyclopropyl]-2-pentyl-1,3-dioxolane?
The IUPAC name of 2-[1-[2-(benzenesulfonyl)ethyl]cyclopropyl]-2-pentyl-1,3-dioxolane (CID 22042462) is 2-[1-[2-(benzenesulfonyl)ethyl]cyclopropyl]-2-pentyl-1,3-dioxolane.
What is the SMILES notation for 2-[1-[2-(benzenesulfonyl)ethyl]cyclopropyl]-2-pentyl-1,3-dioxolane?
The canonical SMILES for 2-[1-[2-(benzenesulfonyl)ethyl]cyclopropyl]-2-pentyl-1,3-dioxolane is CCCCCC1(C2(CCS(=O)(=O)c3ccccc3)CC2)OCCO1.
What is the InChIKey of 2-[1-[2-(benzenesulfonyl)ethyl]cyclopropyl]-2-pentyl-1,3-dioxolane?
The InChIKey is NDHGCPCEYIEYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O4S/c1-2-3-7-10-19(22-14-15-23-19)18(11-12-18)13-16-24(20,21)17-8-5-4-6-9-17/h4-6,8-9H,2-3,7,10-16H2,1H3.
What are the key properties of 2-[1-[2-(benzenesulfonyl)ethyl]cyclopropyl]-2-pentyl-1,3-dioxolane?
2-[1-[2-(benzenesulfonyl)ethyl]cyclopropyl]-2-pentyl-1,3-dioxolane has a molecular weight of 352.50 g/mol, XLogP of 3.95, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(benzenesulfonyl)ethyl]cyclopropyl]-2-pentyl-1,3-dioxolane is sourced from PubChem (CID 22042462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).