4-[3-[2-(2-fluorophenyl)ethylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C21H21FN4O3S2 — CID 24871761

IUPAC4-[3-[2-(2-fluorophenyl)ethylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=C1C(NCCc2ccccc2F)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C21H21FN4O3S2/c22-18-4-2-1-3-15(18)9-11-23-19-10-13-26(20(19)27)16-5-7-17(8-6-16)31(28,29)25-21-24-12-14-30-21/h1-8,12,14,19,23H,9-11,13H2,(H,24,25)
InChIKeyJLTBWFUJYNGCFY-UHFFFAOYSA-N
MW460.56 g/mol
LogP3.02
Rot. Bonds8

About 4-[3-[2-(2-fluorophenyl)ethylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-[3-[2-(2-fluorophenyl)ethylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 24871761) has the molecular formula C21H21FN4O3S2 and a molecular weight of 460.56 g/mol. Its IUPAC name is 4-[3-[2-(2-fluorophenyl)ethylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[3-[2-(2-fluorophenyl)ethylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID24871761
Molecular FormulaC21H21FN4O3S2
Molecular Weight460.56 g/mol
Exact Mass460.10
IUPAC Name4-[3-[2-(2-fluorophenyl)ethylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=C1C(NCCc2ccccc2F)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C21H21FN4O3S2/c22-18-4-2-1-3-15(18)9-11-23-19-10-13-26(20(19)27)16-5-7-17(8-6-16)31(28,29)25-21-24-12-14-30-21/h1-8,12,14,19,23H,9-11,13H2,(H,24,25)
InChIKeyJLTBWFUJYNGCFY-UHFFFAOYSA-N
XLogP3.02
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

CID 998021
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CID 1080629
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CID 3205284
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CID 5817814
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CID 1982030
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CID 2963171
CID 2963171
CID 3107107
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CID 3205281
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CID 4355749
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CID 6364950
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CID 16320453
CID 16320453

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(2-fluorophenyl)ethylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-[3-[2-(2-fluorophenyl)ethylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 24871761) is 4-[3-[2-(2-fluorophenyl)ethylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-[3-[2-(2-fluorophenyl)ethylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-[3-[2-(2-fluorophenyl)ethylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is O=C1C(NCCc2ccccc2F)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of 4-[3-[2-(2-fluorophenyl)ethylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is JLTBWFUJYNGCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O3S2/c22-18-4-2-1-3-15(18)9-11-23-19-10-13-26(20(19)27)16-5-7-17(8-6-16)31(28,29)25-21-24-12-14-30-21/h1-8,12,14,19,23H,9-11,13H2,(H,24,25).
What are the key properties of 4-[3-[2-(2-fluorophenyl)ethylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-[3-[2-(2-fluorophenyl)ethylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 460.56 g/mol, XLogP of 3.02, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(2-fluorophenyl)ethylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 24871761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).