4-fluoro-N-[2-[2-(4-fluoro-2,6-dimethyl-3-pyrrolidin-1-ylphenyl)acetyl]thiophen-3-yl]benzenesulfonamide

C24H24F2N2O3S2 — CID 58125751

IUPAC4-fluoro-N-[2-[2-(4-fluoro-2,6-dimethyl-3-pyrrolidin-1-ylphenyl)acetyl]thiophen-3-yl]benzenesulfonamide
SMILESCc1cc(F)c(N2CCCC2)c(C)c1CC(=O)c1sccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C24H24F2N2O3S2/c1-15-13-20(26)23(28-10-3-4-11-28)16(2)19(15)14-22(29)24-21(9-12-32-24)27-33(30,31)18-7-5-17(25)6-8-18/h5-9,12-13,27H,3-4,10-11,14H2,1-2H3
InChIKeyVBPIXLZOOMJODW-UHFFFAOYSA-N
MW490.60 g/mol
LogP5.47
Rot. Bonds7

About 4-fluoro-N-[2-[2-(4-fluoro-2,6-dimethyl-3-pyrrolidin-1-ylphenyl)acetyl]thiophen-3-yl]benzenesulfonamide

4-fluoro-N-[2-[2-(4-fluoro-2,6-dimethyl-3-pyrrolidin-1-ylphenyl)acetyl]thiophen-3-yl]benzenesulfonamide (PubChem CID 58125751) has the molecular formula C24H24F2N2O3S2 and a molecular weight of 490.60 g/mol. Its IUPAC name is 4-fluoro-N-[2-[2-(4-fluoro-2,6-dimethyl-3-pyrrolidin-1-ylphenyl)acetyl]thiophen-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[2-(4-fluoro-2,6-dimethyl-3-pyrrolidin-1-ylphenyl)acetyl]thiophen-3-yl]benzenesulfonamide
PubChem CID58125751
Molecular FormulaC24H24F2N2O3S2
Molecular Weight490.60 g/mol
Exact Mass490.12
IUPAC Name4-fluoro-N-[2-[2-(4-fluoro-2,6-dimethyl-3-pyrrolidin-1-ylphenyl)acetyl]thiophen-3-yl]benzenesulfonamide
SMILESCc1cc(F)c(N2CCCC2)c(C)c1CC(=O)c1sccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C24H24F2N2O3S2/c1-15-13-20(26)23(28-10-3-4-11-28)16(2)19(15)14-22(29)24-21(9-12-32-24)27-33(30,31)18-7-5-17(25)6-8-18/h5-9,12-13,27H,3-4,10-11,14H2,1-2H3
InChIKeyVBPIXLZOOMJODW-UHFFFAOYSA-N
XLogP5.47
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.60
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-N-[2-[2-(4-fluoro-2,6-dimethyl-3-pyrrolidin-1-ylphenyl)acetyl]thiophen-3-yl]benzenesulfonamide with MolForge

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Related Compounds

3-fluoro-N-[2-[2-(2,4,6-trimethyl-3-piperidin-1-ylphenyl)acetyl]thiophen-3-yl]benzenesulfonamide
CID 58125790
2,4-dimethyl-N-[2-[2-(2,4,6-trimethyl-3-piperidin-1-ylphenyl)acetyl]thiophen-3-yl]benzenesulfonamide
CID 58125845
3-[(4-chlorophenyl)sulfonylamino]-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide
CID 87604418
3-[(4-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 16771674
3-[(4-fluorobenzoyl)amino]-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide
CID 87603974
3-(benzenesulfonamido)-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide
CID 87603776
3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide
CID 25252988
3-[(4-fluorophenyl)sulfonylamino]-4-methylbenzoic acid
CID 2341479
4-[(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)sulfamoyl]benzoic acid
CID 59643651
6-[(4-fluorophenyl)sulfonylamino]-3-(hydroxymethyl)-2-methylbenzoic acid
CID 23647766
N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-4-fluorobenzenesulfonamide
CID 20946704
3-[(5-fluoro-2-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43090747

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[2-(4-fluoro-2,6-dimethyl-3-pyrrolidin-1-ylphenyl)acetyl]thiophen-3-yl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-[2-(4-fluoro-2,6-dimethyl-3-pyrrolidin-1-ylphenyl)acetyl]thiophen-3-yl]benzenesulfonamide (CID 58125751) is 4-fluoro-N-[2-[2-(4-fluoro-2,6-dimethyl-3-pyrrolidin-1-ylphenyl)acetyl]thiophen-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-[2-(4-fluoro-2,6-dimethyl-3-pyrrolidin-1-ylphenyl)acetyl]thiophen-3-yl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-[2-(4-fluoro-2,6-dimethyl-3-pyrrolidin-1-ylphenyl)acetyl]thiophen-3-yl]benzenesulfonamide is Cc1cc(F)c(N2CCCC2)c(C)c1CC(=O)c1sccc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-[2-(4-fluoro-2,6-dimethyl-3-pyrrolidin-1-ylphenyl)acetyl]thiophen-3-yl]benzenesulfonamide?
The InChIKey is VBPIXLZOOMJODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N2O3S2/c1-15-13-20(26)23(28-10-3-4-11-28)16(2)19(15)14-22(29)24-21(9-12-32-24)27-33(30,31)18-7-5-17(25)6-8-18/h5-9,12-13,27H,3-4,10-11,14H2,1-2H3.
What are the key properties of 4-fluoro-N-[2-[2-(4-fluoro-2,6-dimethyl-3-pyrrolidin-1-ylphenyl)acetyl]thiophen-3-yl]benzenesulfonamide?
4-fluoro-N-[2-[2-(4-fluoro-2,6-dimethyl-3-pyrrolidin-1-ylphenyl)acetyl]thiophen-3-yl]benzenesulfonamide has a molecular weight of 490.60 g/mol, XLogP of 5.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[2-(4-fluoro-2,6-dimethyl-3-pyrrolidin-1-ylphenyl)acetyl]thiophen-3-yl]benzenesulfonamide is sourced from PubChem (CID 58125751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).