N-[3-(4-fluorophenyl)sulfanylpropyl]methanesulfonamide

C10H14FNO2S2 — CID 47013157

IUPACN-[3-(4-fluorophenyl)sulfanylpropyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCSc1ccc(F)cc1
InChIInChI=1S/C10H14FNO2S2/c1-16(13,14)12-7-2-8-15-10-5-3-9(11)4-6-10/h3-6,12H,2,7-8H2,1H3
InChIKeyLVXCEWMJEQUKSQ-UHFFFAOYSA-N
MW263.36 g/mol
LogP1.86
Rot. Bonds6

About N-[3-(4-fluorophenyl)sulfanylpropyl]methanesulfonamide

N-[3-(4-fluorophenyl)sulfanylpropyl]methanesulfonamide (PubChem CID 47013157) has the molecular formula C10H14FNO2S2 and a molecular weight of 263.36 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)sulfanylpropyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)sulfanylpropyl]methanesulfonamide
PubChem CID47013157
Molecular FormulaC10H14FNO2S2
Molecular Weight263.36 g/mol
Exact Mass263.04
IUPAC NameN-[3-(4-fluorophenyl)sulfanylpropyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCSc1ccc(F)cc1
InChIInChI=1S/C10H14FNO2S2/c1-16(13,14)12-7-2-8-15-10-5-3-9(11)4-6-10/h3-6,12H,2,7-8H2,1H3
InChIKeyLVXCEWMJEQUKSQ-UHFFFAOYSA-N
XLogP1.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-[3-(4-fluorophenyl)sulfanylpropyl]methanesulfonamide?
The IUPAC name of N-[3-(4-fluorophenyl)sulfanylpropyl]methanesulfonamide (CID 47013157) is N-[3-(4-fluorophenyl)sulfanylpropyl]methanesulfonamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)sulfanylpropyl]methanesulfonamide?
The canonical SMILES for N-[3-(4-fluorophenyl)sulfanylpropyl]methanesulfonamide is CS(=O)(=O)NCCCSc1ccc(F)cc1.
What is the InChIKey of N-[3-(4-fluorophenyl)sulfanylpropyl]methanesulfonamide?
The InChIKey is LVXCEWMJEQUKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2S2/c1-16(13,14)12-7-2-8-15-10-5-3-9(11)4-6-10/h3-6,12H,2,7-8H2,1H3.
What are the key properties of N-[3-(4-fluorophenyl)sulfanylpropyl]methanesulfonamide?
N-[3-(4-fluorophenyl)sulfanylpropyl]methanesulfonamide has a molecular weight of 263.36 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)sulfanylpropyl]methanesulfonamide is sourced from PubChem (CID 47013157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).