1-[2-(2,5-difluoroanilino)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide

C19H16F2N4O3S2 — CID 15951323

IUPAC1-[2-(2,5-difluoroanilino)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide
SMILESO=C(CNc1cc(F)ccc1F)N1CCc2cc(S(=O)(=O)Nc3nccs3)ccc21
InChIInChI=1S/C19H16F2N4O3S2/c20-13-1-3-15(21)16(10-13)23-11-18(26)25-7-5-12-9-14(2-4-17(12)25)30(27,28)24-19-22-6-8-29-19/h1-4,6,8-10,23H,5,7,11H2,(H,22,24)
InChIKeyJNKGKWHAXPUGCU-UHFFFAOYSA-N
MW450.49 g/mol
LogP3.22
Rot. Bonds6

About 1-[2-(2,5-difluoroanilino)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide

1-[2-(2,5-difluoroanilino)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide (PubChem CID 15951323) has the molecular formula C19H16F2N4O3S2 and a molecular weight of 450.49 g/mol. Its IUPAC name is 1-[2-(2,5-difluoroanilino)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-[2-(2,5-difluoroanilino)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide
PubChem CID15951323
Molecular FormulaC19H16F2N4O3S2
Molecular Weight450.49 g/mol
Exact Mass450.06
IUPAC Name1-[2-(2,5-difluoroanilino)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide
SMILESO=C(CNc1cc(F)ccc1F)N1CCc2cc(S(=O)(=O)Nc3nccs3)ccc21
InChIInChI=1S/C19H16F2N4O3S2/c20-13-1-3-15(21)16(10-13)23-11-18(26)25-7-5-12-9-14(2-4-17(12)25)30(27,28)24-19-22-6-8-29-19/h1-4,6,8-10,23H,5,7,11H2,(H,22,24)
InChIKeyJNKGKWHAXPUGCU-UHFFFAOYSA-N
XLogP3.22
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.49
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-(2,5-difluoroanilino)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide 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 1-[2-(2,5-difluoroanilino)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-[2-(2,5-difluoroanilino)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide (CID 15951323) is 1-[2-(2,5-difluoroanilino)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-[2-(2,5-difluoroanilino)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-[2-(2,5-difluoroanilino)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide is O=C(CNc1cc(F)ccc1F)N1CCc2cc(S(=O)(=O)Nc3nccs3)ccc21.
What is the InChIKey of 1-[2-(2,5-difluoroanilino)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide?
The InChIKey is JNKGKWHAXPUGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O3S2/c20-13-1-3-15(21)16(10-13)23-11-18(26)25-7-5-12-9-14(2-4-17(12)25)30(27,28)24-19-22-6-8-29-19/h1-4,6,8-10,23H,5,7,11H2,(H,22,24).
What are the key properties of 1-[2-(2,5-difluoroanilino)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide?
1-[2-(2,5-difluoroanilino)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide has a molecular weight of 450.49 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-difluoroanilino)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 15951323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).