6-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide

C20H17ClFN5O3S2 — CID 25234773

IUPAC6-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide
SMILESO=C1[C@@H](N2CCc3c2ccc(F)c3Cl)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cn1
InChIInChI=1S/C20H17ClFN5O3S2/c21-18-13-5-8-26(15(13)3-2-14(18)22)16-6-9-27(19(16)28)17-4-1-12(11-24-17)32(29,30)25-20-23-7-10-31-20/h1-4,7,10-11,16H,5-6,8-9H2,(H,23,25)/t16-/m0/s1
InChIKeyXEBPDGUUAHUFKA-INIZCTEOSA-N
MW493.97 g/mol
LogP3.30
Rot. Bonds5

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

6-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide (PubChem CID 25234773) has the molecular formula C20H17ClFN5O3S2 and a molecular weight of 493.97 g/mol. Its IUPAC name is 6-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide
PubChem CID25234773
Molecular FormulaC20H17ClFN5O3S2
Molecular Weight493.97 g/mol
Exact Mass493.04
IUPAC Name6-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide
SMILESO=C1[C@@H](N2CCc3c2ccc(F)c3Cl)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cn1
InChIInChI=1S/C20H17ClFN5O3S2/c21-18-13-5-8-26(15(13)3-2-14(18)22)16-6-9-27(19(16)28)17-4-1-12(11-24-17)32(29,30)25-20-23-7-10-31-20/h1-4,7,10-11,16H,5-6,8-9H2,(H,23,25)/t16-/m0/s1
InChIKeyXEBPDGUUAHUFKA-INIZCTEOSA-N
XLogP3.30
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.97
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide (CID 25234773) is 6-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide is O=C1[C@@H](N2CCc3c2ccc(F)c3Cl)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cn1.
What is the InChIKey of 6-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide?
The InChIKey is XEBPDGUUAHUFKA-INIZCTEOSA-N. The full InChI is InChI=1S/C20H17ClFN5O3S2/c21-18-13-5-8-26(15(13)3-2-14(18)22)16-6-9-27(19(16)28)17-4-1-12(11-24-17)32(29,30)25-20-23-7-10-31-20/h1-4,7,10-11,16H,5-6,8-9H2,(H,23,25)/t16-/m0/s1.
What are the key properties of 6-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide?
6-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide has a molecular weight of 493.97 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-3-(4-chloro-5-fluoro-2,3-dihydroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 25234773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).