N-[4-[(2-fluorophenyl)methylsulfanyl]phenyl]thiophene-2-sulfonamide

C17H14FNO2S3 — CID 19629447

IUPACN-[4-[(2-fluorophenyl)methylsulfanyl]phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(SCc2ccccc2F)cc1)c1cccs1
InChIInChI=1S/C17H14FNO2S3/c18-16-5-2-1-4-13(16)12-23-15-9-7-14(8-10-15)19-24(20,21)17-6-3-11-22-17/h1-11,19H,12H2
InChIKeyYTIQESZVOSHYMD-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.98
Rot. Bonds6

About N-[4-[(2-fluorophenyl)methylsulfanyl]phenyl]thiophene-2-sulfonamide

N-[4-[(2-fluorophenyl)methylsulfanyl]phenyl]thiophene-2-sulfonamide (PubChem CID 19629447) has the molecular formula C17H14FNO2S3 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[4-[(2-fluorophenyl)methylsulfanyl]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[(2-fluorophenyl)methylsulfanyl]phenyl]thiophene-2-sulfonamide
PubChem CID19629447
Molecular FormulaC17H14FNO2S3
Molecular Weight379.50 g/mol
Exact Mass379.02
IUPAC NameN-[4-[(2-fluorophenyl)methylsulfanyl]phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(SCc2ccccc2F)cc1)c1cccs1
InChIInChI=1S/C17H14FNO2S3/c18-16-5-2-1-4-13(16)12-23-15-9-7-14(8-10-15)19-24(20,21)17-6-3-11-22-17/h1-11,19H,12H2
InChIKeyYTIQESZVOSHYMD-UHFFFAOYSA-N
XLogP4.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-[(2-fluorophenyl)methylsulfanyl]phenyl]thiophene-2-sulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-(phenylsulfanylmethyl)phenyl]thiophene-2-sulfonamide
CID 126346342
N-(4-acetamidophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide
CID 23095595
N-(4-bromo-2-fluorophenyl)-2-phenyl-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide
CID 21170807
N-[4-(3-phenylpropylamino)phenyl]thiophene-2-sulfonamide
CID 112984772
N-[4-(1-hydroxyethyl)phenyl]thiophene-2-sulfonamide
CID 43416696
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzamide
CID 78868137
N-[4-[2-(dimethylamino)ethylamino]phenyl]thiophene-2-sulfonamide
CID 112981383
N-[4-(3-aminoprop-1-ynyl)phenyl]thiophene-2-sulfonamide
CID 60814116
N-(4-phenyl-1,3-thiazol-2-yl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide
CID 23098780
N-(2-ethyl-6-methylphenyl)-2-phenyl-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide
CID 21167652
N-[4-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-sulfonamide
CID 46380546
N-[4-(N-methylanilino)phenyl]thiophene-2-sulfonamide
CID 112986152

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-fluorophenyl)methylsulfanyl]phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[4-[(2-fluorophenyl)methylsulfanyl]phenyl]thiophene-2-sulfonamide (CID 19629447) is N-[4-[(2-fluorophenyl)methylsulfanyl]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[4-[(2-fluorophenyl)methylsulfanyl]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[4-[(2-fluorophenyl)methylsulfanyl]phenyl]thiophene-2-sulfonamide is O=S(=O)(Nc1ccc(SCc2ccccc2F)cc1)c1cccs1.
What is the InChIKey of N-[4-[(2-fluorophenyl)methylsulfanyl]phenyl]thiophene-2-sulfonamide?
The InChIKey is YTIQESZVOSHYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO2S3/c18-16-5-2-1-4-13(16)12-23-15-9-7-14(8-10-15)19-24(20,21)17-6-3-11-22-17/h1-11,19H,12H2.
What are the key properties of N-[4-[(2-fluorophenyl)methylsulfanyl]phenyl]thiophene-2-sulfonamide?
N-[4-[(2-fluorophenyl)methylsulfanyl]phenyl]thiophene-2-sulfonamide has a molecular weight of 379.50 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-fluorophenyl)methylsulfanyl]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 19629447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).