1-(2-fluorobenzoyl)-N-(1,2,4-thiadiazol-5-yl)-2,3-dihydroindole-5-sulfonamide

C17H13FN4O3S2 — CID 15951254

IUPAC1-(2-fluorobenzoyl)-N-(1,2,4-thiadiazol-5-yl)-2,3-dihydroindole-5-sulfonamide
SMILESO=C(c1ccccc1F)N1CCc2cc(S(=O)(=O)Nc3ncns3)ccc21
InChIInChI=1S/C17H13FN4O3S2/c18-14-4-2-1-3-13(14)16(23)22-8-7-11-9-12(5-6-15(11)22)27(24,25)21-17-19-10-20-26-17/h1-6,9-10H,7-8H2,(H,19,20,21)
InChIKeyRJDFJXQQZKKHOU-UHFFFAOYSA-N
MW404.45 g/mol
LogP2.68
Rot. Bonds4

About 1-(2-fluorobenzoyl)-N-(1,2,4-thiadiazol-5-yl)-2,3-dihydroindole-5-sulfonamide

1-(2-fluorobenzoyl)-N-(1,2,4-thiadiazol-5-yl)-2,3-dihydroindole-5-sulfonamide (PubChem CID 15951254) has the molecular formula C17H13FN4O3S2 and a molecular weight of 404.45 g/mol. Its IUPAC name is 1-(2-fluorobenzoyl)-N-(1,2,4-thiadiazol-5-yl)-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-(2-fluorobenzoyl)-N-(1,2,4-thiadiazol-5-yl)-2,3-dihydroindole-5-sulfonamide
PubChem CID15951254
Molecular FormulaC17H13FN4O3S2
Molecular Weight404.45 g/mol
Exact Mass404.04
IUPAC Name1-(2-fluorobenzoyl)-N-(1,2,4-thiadiazol-5-yl)-2,3-dihydroindole-5-sulfonamide
SMILESO=C(c1ccccc1F)N1CCc2cc(S(=O)(=O)Nc3ncns3)ccc21
InChIInChI=1S/C17H13FN4O3S2/c18-14-4-2-1-3-13(14)16(23)22-8-7-11-9-12(5-6-15(11)22)27(24,25)21-17-19-10-20-26-17/h1-6,9-10H,7-8H2,(H,19,20,21)
InChIKeyRJDFJXQQZKKHOU-UHFFFAOYSA-N
XLogP2.68
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-fluorophenyl)-(5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 17421426
(2-fluorophenyl)-(5-nitro-2,3-dihydroindol-1-yl)methanone
CID 17421569
1-(2-methoxybenzoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 43853234
N-[2-(2,3-dihydroindole-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide
CID 2335196
[5-[2-(cyclopentylamino)-5-methyl-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(2-fluorophenyl)methanone
CID 1450242
N-[4-[1-(2-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 1383858
1-benzoyl-N-phenyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247797
1-(3-fluorobenzoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 43853224
(2-piperidin-1-yl-3-pyridinyl)-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 55759909
1-[2-(2,6-dichlorophenyl)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide
CID 59432922
1-acetyl-N-benzo[e][1,3]benzothiazol-2-yl-2,3-dihydroindole-5-sulfonamide
CID 24509991
N-cyclopentyl-1-(2-methyl-3-nitrobenzoyl)-2,3-dihydroindole-5-sulfonamide
CID 19164419

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorobenzoyl)-N-(1,2,4-thiadiazol-5-yl)-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-(2-fluorobenzoyl)-N-(1,2,4-thiadiazol-5-yl)-2,3-dihydroindole-5-sulfonamide (CID 15951254) is 1-(2-fluorobenzoyl)-N-(1,2,4-thiadiazol-5-yl)-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-(2-fluorobenzoyl)-N-(1,2,4-thiadiazol-5-yl)-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-(2-fluorobenzoyl)-N-(1,2,4-thiadiazol-5-yl)-2,3-dihydroindole-5-sulfonamide is O=C(c1ccccc1F)N1CCc2cc(S(=O)(=O)Nc3ncns3)ccc21.
What is the InChIKey of 1-(2-fluorobenzoyl)-N-(1,2,4-thiadiazol-5-yl)-2,3-dihydroindole-5-sulfonamide?
The InChIKey is RJDFJXQQZKKHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O3S2/c18-14-4-2-1-3-13(14)16(23)22-8-7-11-9-12(5-6-15(11)22)27(24,25)21-17-19-10-20-26-17/h1-6,9-10H,7-8H2,(H,19,20,21).
What are the key properties of 1-(2-fluorobenzoyl)-N-(1,2,4-thiadiazol-5-yl)-2,3-dihydroindole-5-sulfonamide?
1-(2-fluorobenzoyl)-N-(1,2,4-thiadiazol-5-yl)-2,3-dihydroindole-5-sulfonamide has a molecular weight of 404.45 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorobenzoyl)-N-(1,2,4-thiadiazol-5-yl)-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 15951254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).