4-(4-cyclopentyl-3-sulfanylphenyl)-2-fluorobenzenesulfonamide

C17H18FNO2S2 — CID 91461103

IUPAC4-(4-cyclopentyl-3-sulfanylphenyl)-2-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2ccc(C3CCCC3)c(S)c2)cc1F
InChIInChI=1S/C17H18FNO2S2/c18-15-9-12(6-8-17(15)23(19,20)21)13-5-7-14(16(22)10-13)11-3-1-2-4-11/h5-11,22H,1-4H2,(H2,19,20,21)
InChIKeyWVAQFYDQWFEQEB-UHFFFAOYSA-N
MW351.47 g/mol
LogP4.09
Rot. Bonds3

About 4-(4-cyclopentyl-3-sulfanylphenyl)-2-fluorobenzenesulfonamide

4-(4-cyclopentyl-3-sulfanylphenyl)-2-fluorobenzenesulfonamide (PubChem CID 91461103) has the molecular formula C17H18FNO2S2 and a molecular weight of 351.47 g/mol. Its IUPAC name is 4-(4-cyclopentyl-3-sulfanylphenyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-(4-cyclopentyl-3-sulfanylphenyl)-2-fluorobenzenesulfonamide
PubChem CID91461103
Molecular FormulaC17H18FNO2S2
Molecular Weight351.47 g/mol
Exact Mass351.08
IUPAC Name4-(4-cyclopentyl-3-sulfanylphenyl)-2-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2ccc(C3CCCC3)c(S)c2)cc1F
InChIInChI=1S/C17H18FNO2S2/c18-15-9-12(6-8-17(15)23(19,20)21)13-5-7-14(16(22)10-13)11-3-1-2-4-11/h5-11,22H,1-4H2,(H2,19,20,21)
InChIKeyWVAQFYDQWFEQEB-UHFFFAOYSA-N
XLogP4.09
TPSA60.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopentyl-3-sulfanylphenyl)-2-fluorobenzenesulfonamide?
The IUPAC name of 4-(4-cyclopentyl-3-sulfanylphenyl)-2-fluorobenzenesulfonamide (CID 91461103) is 4-(4-cyclopentyl-3-sulfanylphenyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 4-(4-cyclopentyl-3-sulfanylphenyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 4-(4-cyclopentyl-3-sulfanylphenyl)-2-fluorobenzenesulfonamide is NS(=O)(=O)c1ccc(-c2ccc(C3CCCC3)c(S)c2)cc1F.
What is the InChIKey of 4-(4-cyclopentyl-3-sulfanylphenyl)-2-fluorobenzenesulfonamide?
The InChIKey is WVAQFYDQWFEQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2S2/c18-15-9-12(6-8-17(15)23(19,20)21)13-5-7-14(16(22)10-13)11-3-1-2-4-11/h5-11,22H,1-4H2,(H2,19,20,21).
What are the key properties of 4-(4-cyclopentyl-3-sulfanylphenyl)-2-fluorobenzenesulfonamide?
4-(4-cyclopentyl-3-sulfanylphenyl)-2-fluorobenzenesulfonamide has a molecular weight of 351.47 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopentyl-3-sulfanylphenyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 91461103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).