4-acetyl-N-(2-fluoro-5-pyrrolidin-1-ylphenyl)benzenesulfonamide

C18H19FN2O3S — CID 110361895

IUPAC4-acetyl-N-(2-fluoro-5-pyrrolidin-1-ylphenyl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2cc(N3CCCC3)ccc2F)cc1
InChIInChI=1S/C18H19FN2O3S/c1-13(22)14-4-7-16(8-5-14)25(23,24)20-18-12-15(6-9-17(18)19)21-10-2-3-11-21/h4-9,12,20H,2-3,10-11H2,1H3
InChIKeyLAELSNXIYYSKLX-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.43
Rot. Bonds5

About 4-acetyl-N-(2-fluoro-5-pyrrolidin-1-ylphenyl)benzenesulfonamide

4-acetyl-N-(2-fluoro-5-pyrrolidin-1-ylphenyl)benzenesulfonamide (PubChem CID 110361895) has the molecular formula C18H19FN2O3S and a molecular weight of 362.43 g/mol. Its IUPAC name is 4-acetyl-N-(2-fluoro-5-pyrrolidin-1-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-(2-fluoro-5-pyrrolidin-1-ylphenyl)benzenesulfonamide
PubChem CID110361895
Molecular FormulaC18H19FN2O3S
Molecular Weight362.43 g/mol
Exact Mass362.11
IUPAC Name4-acetyl-N-(2-fluoro-5-pyrrolidin-1-ylphenyl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2cc(N3CCCC3)ccc2F)cc1
InChIInChI=1S/C18H19FN2O3S/c1-13(22)14-4-7-16(8-5-14)25(23,24)20-18-12-15(6-9-17(18)19)21-10-2-3-11-21/h4-9,12,20H,2-3,10-11H2,1H3
InChIKeyLAELSNXIYYSKLX-UHFFFAOYSA-N
XLogP3.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide
CID 110359732
N-(2-fluoro-5-piperidin-1-ylphenyl)ethanesulfonamide
CID 110362270
N-(2-fluorophenyl)-4-pyrrolidin-1-ylbenzenesulfonamide
CID 168514445
N-(2-fluoro-5-pyrrolidin-1-ylphenyl)propane-1-sulfonamide
CID 110361846
N-[4-[(2-chloro-5-pyrrolidin-1-ylphenyl)sulfamoyl]phenyl]acetamide
CID 110361959
4-methyl-N-(2-methyl-5-pyrrolidin-1-ylphenyl)benzenesulfonamide
CID 110361741
4-fluoro-N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide
CID 110359709
4-[(2-fluorophenyl)sulfamoyl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 4787079
N-(2-fluoro-5-pyrrolidin-1-ylphenyl)-3,4-dimethoxybenzamide
CID 110361803
N-(2-fluoro-5-pyrrolidin-1-ylphenyl)-2-methylpropanamide
CID 110361779
N-(2-fluoro-5-morpholin-4-ylphenyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110362713
4-fluoro-N-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 169371323

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(2-fluoro-5-pyrrolidin-1-ylphenyl)benzenesulfonamide?
The IUPAC name of 4-acetyl-N-(2-fluoro-5-pyrrolidin-1-ylphenyl)benzenesulfonamide (CID 110361895) is 4-acetyl-N-(2-fluoro-5-pyrrolidin-1-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-(2-fluoro-5-pyrrolidin-1-ylphenyl)benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-(2-fluoro-5-pyrrolidin-1-ylphenyl)benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)Nc2cc(N3CCCC3)ccc2F)cc1.
What is the InChIKey of 4-acetyl-N-(2-fluoro-5-pyrrolidin-1-ylphenyl)benzenesulfonamide?
The InChIKey is LAELSNXIYYSKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3S/c1-13(22)14-4-7-16(8-5-14)25(23,24)20-18-12-15(6-9-17(18)19)21-10-2-3-11-21/h4-9,12,20H,2-3,10-11H2,1H3.
What are the key properties of 4-acetyl-N-(2-fluoro-5-pyrrolidin-1-ylphenyl)benzenesulfonamide?
4-acetyl-N-(2-fluoro-5-pyrrolidin-1-ylphenyl)benzenesulfonamide has a molecular weight of 362.43 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(2-fluoro-5-pyrrolidin-1-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 110361895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).