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

C22H21FN4O3S2 — CID 76705213

IUPAC4-[3-(6-fluoro-5-methyl-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1cc2c(cc1F)N(C1CCN(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)
InChIKeyIJRNGZJRURJUHA-UHFFFAOYSA-N
MW472.57 g/mol
LogP3.56
Rot. Bonds5

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

4-[3-(6-fluoro-5-methyl-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 76705213) has the molecular formula C22H21FN4O3S2 and a molecular weight of 472.57 g/mol. Its IUPAC name is 4-[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-[3-(6-fluoro-5-methyl-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID76705213
Molecular FormulaC22H21FN4O3S2
Molecular Weight472.57 g/mol
Exact Mass472.10
IUPAC Name4-[3-(6-fluoro-5-methyl-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1cc2c(cc1F)N(C1CCN(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)
InChIKeyIJRNGZJRURJUHA-UHFFFAOYSA-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

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Related Compounds

CID 2963171
CID 2963171
CID 44603427
CID 44603427
CID 6497561
CID 6497561
CID 6497644
CID 6497644
CID 9551478
CID 9551478
CID 91895651
CID 91895651
CID 6494557
CID 6494557
CID 2927050
CID 2927050
CID 16803850
CID 16803850
CID 20902047
CID 20902047
CID 92882209
CID 92882209
CID 2834500
CID 2834500

Frequently Asked Questions

What is the IUPAC name of 4-[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-[3-(6-fluoro-5-methyl-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 76705213) is 4-[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-[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-[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(C1CCN(c3ccc(S(=O)(=O)Nc4nccs4)cc3)C1=O)CC2.
What is the InChIKey of 4-[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-UHFFFAOYSA-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).
What are the key properties of 4-[3-(6-fluoro-5-methyl-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-[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-[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 76705213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).