N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]thiophene-2-sulfonamide

C13H14FNO2S3 — CID 8801564

IUPACN-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCSCc1ccccc1F)c1cccs1
InChIInChI=1S/C13H14FNO2S3/c14-12-5-2-1-4-11(12)10-18-9-7-15-20(16,17)13-6-3-8-19-13/h1-6,8,15H,7,9-10H2
InChIKeyDDCVMOCCHLXRNS-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.10
Rot. Bonds7

About N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]thiophene-2-sulfonamide

N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]thiophene-2-sulfonamide (PubChem CID 8801564) has the molecular formula C13H14FNO2S3 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]thiophene-2-sulfonamide
PubChem CID8801564
Molecular FormulaC13H14FNO2S3
Molecular Weight331.46 g/mol
Exact Mass331.02
IUPAC NameN-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCSCc1ccccc1F)c1cccs1
InChIInChI=1S/C13H14FNO2S3/c14-12-5-2-1-4-11(12)10-18-9-7-15-20(16,17)13-6-3-8-19-13/h1-6,8,15H,7,9-10H2
InChIKeyDDCVMOCCHLXRNS-UHFFFAOYSA-N
XLogP3.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.10
H-Bond Donors ≤ 51
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 N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]thiophene-2-sulfonamide (CID 8801564) is N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]thiophene-2-sulfonamide is O=S(=O)(NCCSCc1ccccc1F)c1cccs1.
What is the InChIKey of N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]thiophene-2-sulfonamide?
The InChIKey is DDCVMOCCHLXRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2S3/c14-12-5-2-1-4-11(12)10-18-9-7-15-20(16,17)13-6-3-8-19-13/h1-6,8,15H,7,9-10H2.
What are the key properties of N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]thiophene-2-sulfonamide?
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]thiophene-2-sulfonamide has a molecular weight of 331.46 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 8801564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).