4-cyclopropylsulfonyl-2-fluoroaniline

C9H10FNO2S — CID 58270351

IUPAC4-cyclopropylsulfonyl-2-fluoroaniline
SMILESNc1ccc(S(=O)(=O)C2CC2)cc1F
InChIInChI=1S/C9H10FNO2S/c10-8-5-7(3-4-9(8)11)14(12,13)6-1-2-6/h3-6H,1-2,11H2
InChIKeyMOTPVTWZOVUFKZ-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.34
Rot. Bonds2

About 4-cyclopropylsulfonyl-2-fluoroaniline

4-cyclopropylsulfonyl-2-fluoroaniline (PubChem CID 58270351) has the molecular formula C9H10FNO2S and a molecular weight of 215.25 g/mol. Its IUPAC name is 4-cyclopropylsulfonyl-2-fluoroaniline.

Molecular Properties

Compound Name4-cyclopropylsulfonyl-2-fluoroaniline
PubChem CID58270351
Molecular FormulaC9H10FNO2S
Molecular Weight215.25 g/mol
Exact Mass215.04
IUPAC Name4-cyclopropylsulfonyl-2-fluoroaniline
SMILESNc1ccc(S(=O)(=O)C2CC2)cc1F
InChIInChI=1S/C9H10FNO2S/c10-8-5-7(3-4-9(8)11)14(12,13)6-1-2-6/h3-6H,1-2,11H2
InChIKeyMOTPVTWZOVUFKZ-UHFFFAOYSA-N
XLogP1.34
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropylsulfonyl-2-fluoroaniline?
The IUPAC name of 4-cyclopropylsulfonyl-2-fluoroaniline (CID 58270351) is 4-cyclopropylsulfonyl-2-fluoroaniline.
What is the SMILES notation for 4-cyclopropylsulfonyl-2-fluoroaniline?
The canonical SMILES for 4-cyclopropylsulfonyl-2-fluoroaniline is Nc1ccc(S(=O)(=O)C2CC2)cc1F.
What is the InChIKey of 4-cyclopropylsulfonyl-2-fluoroaniline?
The InChIKey is MOTPVTWZOVUFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2S/c10-8-5-7(3-4-9(8)11)14(12,13)6-1-2-6/h3-6H,1-2,11H2.
What are the key properties of 4-cyclopropylsulfonyl-2-fluoroaniline?
4-cyclopropylsulfonyl-2-fluoroaniline has a molecular weight of 215.25 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropylsulfonyl-2-fluoroaniline is sourced from PubChem (CID 58270351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).