4-[(3S)-3-(6-fluoro-5-methyl-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C22H21FN4O3S2 — CID 58215112

IUPAC4-[(3S)-3-(6-fluoro-5-methyl-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1cc2c(cc1F)N([C@H]1CCN(c3ccc(S(=O)(=O)Nc4nccs4)cc3)C1=O)CC2
InChIInChI=1S/C22H21FN4O3S2/c1-14-12-15-6-9-27(20(15)13-18(14)23)19-7-10-26(21(19)28)16-2-4-17(5-3-16)32(29,30)25-22-24-8-11-31-22/h2-5,8,11-13,19H,6-7,9-10H2,1H3,(H,24,25)/t19-/m0/s1
InChIKeyIJRNGZJRURJUHA-IBGZPJMESA-N
MW472.57 g/mol
LogP3.56
Rot. Bonds5

About 4-[(3S)-3-(6-fluoro-5-methyl-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-[(3S)-3-(6-fluoro-5-methyl-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 58215112) has the molecular formula C22H21FN4O3S2 and a molecular weight of 472.57 g/mol. Its IUPAC name is 4-[(3S)-3-(6-fluoro-5-methyl-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(3S)-3-(6-fluoro-5-methyl-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID58215112
Molecular FormulaC22H21FN4O3S2
Molecular Weight472.57 g/mol
Exact Mass472.10
IUPAC Name4-[(3S)-3-(6-fluoro-5-methyl-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1cc2c(cc1F)N([C@H]1CCN(c3ccc(S(=O)(=O)Nc4nccs4)cc3)C1=O)CC2
InChIInChI=1S/C22H21FN4O3S2/c1-14-12-15-6-9-27(20(15)13-18(14)23)19-7-10-26(21(19)28)16-2-4-17(5-3-16)32(29,30)25-22-24-8-11-31-22/h2-5,8,11-13,19H,6-7,9-10H2,1H3,(H,24,25)/t19-/m0/s1
InChIKeyIJRNGZJRURJUHA-IBGZPJMESA-N
XLogP3.56
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[(3S)-3-(6-fluoro-5-methyl-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide 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 4-[(3S)-3-(6-fluoro-5-methyl-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-[(3S)-3-(6-fluoro-5-methyl-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 58215112) is 4-[(3S)-3-(6-fluoro-5-methyl-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-[(3S)-3-(6-fluoro-5-methyl-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-[(3S)-3-(6-fluoro-5-methyl-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is Cc1cc2c(cc1F)N([C@H]1CCN(c3ccc(S(=O)(=O)Nc4nccs4)cc3)C1=O)CC2.
What is the InChIKey of 4-[(3S)-3-(6-fluoro-5-methyl-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is IJRNGZJRURJUHA-IBGZPJMESA-N. The full InChI is InChI=1S/C22H21FN4O3S2/c1-14-12-15-6-9-27(20(15)13-18(14)23)19-7-10-26(21(19)28)16-2-4-17(5-3-16)32(29,30)25-22-24-8-11-31-22/h2-5,8,11-13,19H,6-7,9-10H2,1H3,(H,24,25)/t19-/m0/s1.
What are the key properties of 4-[(3S)-3-(6-fluoro-5-methyl-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-[(3S)-3-(6-fluoro-5-methyl-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 472.57 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-(6-fluoro-5-methyl-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 58215112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).