5-acetyl-2-(4-fluorophenyl)-3-[[4-(sulfinatoamino)phenyl]methyl]thiophene

C19H15FNO3S2- — CID 56989708

IUPAC5-acetyl-2-(4-fluorophenyl)-3-[[4-(sulfinatoamino)phenyl]methyl]thiophene
SMILESCC(=O)c1cc(Cc2ccc(NS(=O)[O-])cc2)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C19H16FNO3S2/c1-12(22)18-11-15(19(25-18)14-4-6-16(20)7-5-14)10-13-2-8-17(9-3-13)21-26(23)24/h2-9,11,21H,10H2,1H3,(H,23,24)/p-1
InChIKeyOHSMGONXCCGNRR-UHFFFAOYSA-M
MW388.47 g/mol
LogP4.55
Rot. Bonds6

About 5-acetyl-2-(4-fluorophenyl)-3-[[4-(sulfinatoamino)phenyl]methyl]thiophene

5-acetyl-2-(4-fluorophenyl)-3-[[4-(sulfinatoamino)phenyl]methyl]thiophene (PubChem CID 56989708) has the molecular formula C19H15FNO3S2- and a molecular weight of 388.47 g/mol. Its IUPAC name is 5-acetyl-2-(4-fluorophenyl)-3-[[4-(sulfinatoamino)phenyl]methyl]thiophene.

Molecular Properties

Compound Name5-acetyl-2-(4-fluorophenyl)-3-[[4-(sulfinatoamino)phenyl]methyl]thiophene
PubChem CID56989708
Molecular FormulaC19H15FNO3S2-
Molecular Weight388.47 g/mol
Exact Mass388.05
IUPAC Name5-acetyl-2-(4-fluorophenyl)-3-[[4-(sulfinatoamino)phenyl]methyl]thiophene
SMILESCC(=O)c1cc(Cc2ccc(NS(=O)[O-])cc2)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C19H16FNO3S2/c1-12(22)18-11-15(19(25-18)14-4-6-16(20)7-5-14)10-13-2-8-17(9-3-13)21-26(23)24/h2-9,11,21H,10H2,1H3,(H,23,24)/p-1
InChIKeyOHSMGONXCCGNRR-UHFFFAOYSA-M
XLogP4.55
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-acetyl-2-(4-fluorophenyl)-3-[[4-(sulfinatoamino)phenyl]methyl]thiophene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2-(4-fluorophenyl)-3-[[4-(sulfinatoamino)phenyl]methyl]thiophene?
The IUPAC name of 5-acetyl-2-(4-fluorophenyl)-3-[[4-(sulfinatoamino)phenyl]methyl]thiophene (CID 56989708) is 5-acetyl-2-(4-fluorophenyl)-3-[[4-(sulfinatoamino)phenyl]methyl]thiophene.
What is the SMILES notation for 5-acetyl-2-(4-fluorophenyl)-3-[[4-(sulfinatoamino)phenyl]methyl]thiophene?
The canonical SMILES for 5-acetyl-2-(4-fluorophenyl)-3-[[4-(sulfinatoamino)phenyl]methyl]thiophene is CC(=O)c1cc(Cc2ccc(NS(=O)[O-])cc2)c(-c2ccc(F)cc2)s1.
What is the InChIKey of 5-acetyl-2-(4-fluorophenyl)-3-[[4-(sulfinatoamino)phenyl]methyl]thiophene?
The InChIKey is OHSMGONXCCGNRR-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H16FNO3S2/c1-12(22)18-11-15(19(25-18)14-4-6-16(20)7-5-14)10-13-2-8-17(9-3-13)21-26(23)24/h2-9,11,21H,10H2,1H3,(H,23,24)/p-1.
What are the key properties of 5-acetyl-2-(4-fluorophenyl)-3-[[4-(sulfinatoamino)phenyl]methyl]thiophene?
5-acetyl-2-(4-fluorophenyl)-3-[[4-(sulfinatoamino)phenyl]methyl]thiophene has a molecular weight of 388.47 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2-(4-fluorophenyl)-3-[[4-(sulfinatoamino)phenyl]methyl]thiophene is sourced from PubChem (CID 56989708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).