4-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide

C22H17N5O4S — CID 43952099

IUPAC4-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESO=C(Nc1nnc(-c2cccnc2)o1)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C22H17N5O4S/c28-20(24-22-26-25-21(31-22)17-5-3-12-23-14-17)16-7-9-18(10-8-16)32(29,30)27-13-11-15-4-1-2-6-19(15)27/h1-10,12,14H,11,13H2,(H,24,26,28)
InChIKeyPKRTXFSEYFVSFE-UHFFFAOYSA-N
MW447.48 g/mol
LogP3.14
Rot. Bonds5

About 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide

4-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 43952099) has the molecular formula C22H17N5O4S and a molecular weight of 447.48 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID43952099
Molecular FormulaC22H17N5O4S
Molecular Weight447.48 g/mol
Exact Mass447.10
IUPAC Name4-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESO=C(Nc1nnc(-c2cccnc2)o1)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C22H17N5O4S/c28-20(24-22-26-25-21(31-22)17-5-3-12-23-14-17)16-7-9-18(10-8-16)32(29,30)27-13-11-15-4-1-2-6-19(15)27/h1-10,12,14H,11,13H2,(H,24,26,28)
InChIKeyPKRTXFSEYFVSFE-UHFFFAOYSA-N
XLogP3.14
TPSA118.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.48
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-piperidin-1-ylsulfonyl-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 4072968
1-(4-pyridin-3-ylphenyl)sulfonyl-2,3-dihydroindole
CID 110454423
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 2159002
N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide
CID 2159031
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-4-phenylbenzamide
CID 1010301
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]pyridine-4-carboxamide
CID 4930404
4-[cyclohexyl(methyl)sulfamoyl]-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 18553446
4-nitro-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 5074075
4-(2,3-dihydroindol-1-ylsulfonyl)-N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43975439
3-(2,3-dihydroindol-1-ylsulfonyl)-N-pyridin-3-ylbenzamide
CID 2477308
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 2158937
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[5-(4-propan-2-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 44922063

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide (CID 43952099) is 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide is O=C(Nc1nnc(-c2cccnc2)o1)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is PKRTXFSEYFVSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O4S/c28-20(24-22-26-25-21(31-22)17-5-3-12-23-14-17)16-7-9-18(10-8-16)32(29,30)27-13-11-15-4-1-2-6-19(15)27/h1-10,12,14H,11,13H2,(H,24,26,28).
What are the key properties of 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide?
4-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 447.48 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 43952099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).