2-[3-(4-chloro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C21H19ClN4O3S2 — CID 87717904

IUPAC2-[3-(4-chloro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=C1C(N2CCc3c(Cl)cccc32)CCN1c1ccccc1S(=O)(=O)Nc1nccs1
InChIInChI=1S/C21H19ClN4O3S2/c22-15-4-3-6-16-14(15)8-11-25(16)18-9-12-26(20(18)27)17-5-1-2-7-19(17)31(28,29)24-21-23-10-13-30-21/h1-7,10,13,18H,8-9,11-12H2,(H,23,24)
InChIKeyHZHYYDCQUWXOFI-UHFFFAOYSA-N
MW475.00 g/mol
LogP3.77
Rot. Bonds5

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

2-[3-(4-chloro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 87717904) has the molecular formula C21H19ClN4O3S2 and a molecular weight of 475.00 g/mol. Its IUPAC name is 2-[3-(4-chloro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-[3-(4-chloro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID87717904
Molecular FormulaC21H19ClN4O3S2
Molecular Weight475.00 g/mol
Exact Mass474.06
IUPAC Name2-[3-(4-chloro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=C1C(N2CCc3c(Cl)cccc32)CCN1c1ccccc1S(=O)(=O)Nc1nccs1
InChIInChI=1S/C21H19ClN4O3S2/c22-15-4-3-6-16-14(15)8-11-25(16)18-9-12-26(20(18)27)17-5-1-2-7-19(17)31(28,29)24-21-23-10-13-30-21/h1-7,10,13,18H,8-9,11-12H2,(H,23,24)
InChIKeyHZHYYDCQUWXOFI-UHFFFAOYSA-N
XLogP3.77
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.00
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chloro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 2-[3-(4-chloro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 87717904) is 2-[3-(4-chloro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-[3-(4-chloro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 2-[3-(4-chloro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is O=C1C(N2CCc3c(Cl)cccc32)CCN1c1ccccc1S(=O)(=O)Nc1nccs1.
What is the InChIKey of 2-[3-(4-chloro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is HZHYYDCQUWXOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O3S2/c22-15-4-3-6-16-14(15)8-11-25(16)18-9-12-26(20(18)27)17-5-1-2-7-19(17)31(28,29)24-21-23-10-13-30-21/h1-7,10,13,18H,8-9,11-12H2,(H,23,24).
What are the key properties of 2-[3-(4-chloro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
2-[3-(4-chloro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 475.00 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chloro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 87717904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).