1-cyclopropylsulfonyl-4-fluorobenzene

C9H9FO2S — CID 59346880

IUPAC1-cyclopropylsulfonyl-4-fluorobenzene
SMILESO=S(=O)(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C9H9FO2S/c10-7-1-3-8(4-2-7)13(11,12)9-5-6-9/h1-4,9H,5-6H2
InChIKeyRDAGREFNZPWLGK-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.76
Rot. Bonds2

About 1-cyclopropylsulfonyl-4-fluorobenzene

1-cyclopropylsulfonyl-4-fluorobenzene (PubChem CID 59346880) has the molecular formula C9H9FO2S and a molecular weight of 200.23 g/mol. Its IUPAC name is 1-cyclopropylsulfonyl-4-fluorobenzene.

Molecular Properties

Compound Name1-cyclopropylsulfonyl-4-fluorobenzene
PubChem CID59346880
Molecular FormulaC9H9FO2S
Molecular Weight200.23 g/mol
Exact Mass200.03
IUPAC Name1-cyclopropylsulfonyl-4-fluorobenzene
SMILESO=S(=O)(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C9H9FO2S/c10-7-1-3-8(4-2-7)13(11,12)9-5-6-9/h1-4,9H,5-6H2
InChIKeyRDAGREFNZPWLGK-UHFFFAOYSA-N
XLogP1.76
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-cyclopropylsulfonyl-4-fluorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylsulfonyl-4-fluorobenzene?
The IUPAC name of 1-cyclopropylsulfonyl-4-fluorobenzene (CID 59346880) is 1-cyclopropylsulfonyl-4-fluorobenzene.
What is the SMILES notation for 1-cyclopropylsulfonyl-4-fluorobenzene?
The canonical SMILES for 1-cyclopropylsulfonyl-4-fluorobenzene is O=S(=O)(c1ccc(F)cc1)C1CC1.
What is the InChIKey of 1-cyclopropylsulfonyl-4-fluorobenzene?
The InChIKey is RDAGREFNZPWLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO2S/c10-7-1-3-8(4-2-7)13(11,12)9-5-6-9/h1-4,9H,5-6H2.
What are the key properties of 1-cyclopropylsulfonyl-4-fluorobenzene?
1-cyclopropylsulfonyl-4-fluorobenzene has a molecular weight of 200.23 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylsulfonyl-4-fluorobenzene is sourced from PubChem (CID 59346880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).