1-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetyl]-2,3-dihydroindole-5-sulfonamide

C19H17FN4O3S2 — CID 26967754

IUPAC1-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetyl]-2,3-dihydroindole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CSc1ncc(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C19H17FN4O3S2/c20-14-3-1-12(2-4-14)16-10-22-19(23-16)28-11-18(25)24-8-7-13-9-15(29(21,26)27)5-6-17(13)24/h1-6,9-10H,7-8,11H2,(H,22,23)(H2,21,26,27)
InChIKeyYZRBAJGEWYLAKP-UHFFFAOYSA-N
MW432.50 g/mol
LogP2.54
Rot. Bonds5

About 1-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetyl]-2,3-dihydroindole-5-sulfonamide

1-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 26967754) has the molecular formula C19H17FN4O3S2 and a molecular weight of 432.50 g/mol. Its IUPAC name is 1-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID26967754
Molecular FormulaC19H17FN4O3S2
Molecular Weight432.50 g/mol
Exact Mass432.07
IUPAC Name1-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetyl]-2,3-dihydroindole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CSc1ncc(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C19H17FN4O3S2/c20-14-3-1-12(2-4-14)16-10-22-19(23-16)28-11-18(25)24-8-7-13-9-15(29(21,26)27)5-6-17(13)24/h1-6,9-10H,7-8,11H2,(H,22,23)(H2,21,26,27)
InChIKeyYZRBAJGEWYLAKP-UHFFFAOYSA-N
XLogP2.54
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetyl]-2,3-dihydroindole-5-sulfonamide with MolForge

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Related Compounds

1-(2-phenylsulfanylacetyl)-2,3-dihydroindole-5-sulfonamide
CID 71060712
1-[2-(2,5-dichlorophenyl)sulfanylacetyl]-2,3-dihydroindole-5-sulfonamide
CID 24526881
2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide
CID 860011
2-(4-fluorophenyl)sulfanyl-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone
CID 18097857
1-but-3-enoyl-2,3-dihydroindole-5-sulfonamide
CID 62678193
1-(2-methoxyacetyl)-2,3-dihydroindole-5-sulfonamide
CID 60698789
1-[2-(2-bromophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 55448423
1-hexanoyl-2,3-dihydroindole-5-sulfonamide
CID 60723591
1-(2,2,2-trifluoroacetyl)-2,3-dihydroindole-5-sulfonamide
CID 57047254
1-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]-2,3-dihydroindole-5-sulfonamide
CID 18229955
1-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 16599297
1-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 18284239

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetyl]-2,3-dihydroindole-5-sulfonamide (CID 26967754) is 1-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetyl]-2,3-dihydroindole-5-sulfonamide is NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CSc1ncc(-c2ccc(F)cc2)[nH]1.
What is the InChIKey of 1-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is YZRBAJGEWYLAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O3S2/c20-14-3-1-12(2-4-14)16-10-22-19(23-16)28-11-18(25)24-8-7-13-9-15(29(21,26)27)5-6-17(13)24/h1-6,9-10H,7-8,11H2,(H,22,23)(H2,21,26,27).
What are the key properties of 1-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetyl]-2,3-dihydroindole-5-sulfonamide?
1-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 432.50 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 26967754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).