1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide

C17H16N4O3S — CID 25382319

IUPAC1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)CCN2Cc1nc(-c2ccccc2)no1
InChIInChI=1S/C17H16N4O3S/c18-25(22,23)14-6-7-15-13(10-14)8-9-21(15)11-16-19-17(20-24-16)12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H2,18,22,23)
InChIKeyHXSZDFPRINLPME-UHFFFAOYSA-N
MW356.41 g/mol
LogP1.95
Rot. Bonds4

About 1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide

1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 25382319) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is 1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID25382319
Molecular FormulaC17H16N4O3S
Molecular Weight356.41 g/mol
Exact Mass356.09
IUPAC Name1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)CCN2Cc1nc(-c2ccccc2)no1
InChIInChI=1S/C17H16N4O3S/c18-25(22,23)14-6-7-15-13(10-14)8-9-21(15)11-16-19-17(20-24-16)12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H2,18,22,23)
InChIKeyHXSZDFPRINLPME-UHFFFAOYSA-N
XLogP1.95
TPSA102.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-6-sulfonamide
CID 86974733
N,N-diethyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-5-sulfonamide
CID 26567307
1-[(4-phenylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 34913237
1-[(2-bromophenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 17398357
1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 34913690
1-[(2,6-dichlorophenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 36943943
(2R)-1-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 25355714
1-[(4-fluorophenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 71943822
1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 146138470
1-[(2-methyl-3-nitrophenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 60505069
4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 34803748
N-(2-cyanoethyl)-N-phenyl-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide
CID 55470772

Frequently Asked Questions

What is the IUPAC name of 1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide (CID 25382319) is 1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide is NS(=O)(=O)c1ccc2c(c1)CCN2Cc1nc(-c2ccccc2)no1.
What is the InChIKey of 1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is HXSZDFPRINLPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S/c18-25(22,23)14-6-7-15-13(10-14)8-9-21(15)11-16-19-17(20-24-16)12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H2,18,22,23).
What are the key properties of 1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide?
1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 356.41 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 25382319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).