3-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-ethyl-1-methylpyrazol-5-yl)benzamide

C21H22N4O3S — CID 86961299

IUPAC3-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-ethyl-1-methylpyrazol-5-yl)benzamide
SMILESCCc1cc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)n(C)n1
InChIInChI=1S/C21H22N4O3S/c1-3-17-14-20(24(2)23-17)22-21(26)16-8-6-9-18(13-16)29(27,28)25-12-11-15-7-4-5-10-19(15)25/h4-10,13-14H,3,11-12H2,1-2H3,(H,22,26)
InChIKeyQZCYUNPLCPGQHV-UHFFFAOYSA-N
MW410.50 g/mol
LogP2.99
Rot. Bonds5

About 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-ethyl-1-methylpyrazol-5-yl)benzamide

3-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-ethyl-1-methylpyrazol-5-yl)benzamide (PubChem CID 86961299) has the molecular formula C21H22N4O3S and a molecular weight of 410.50 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-ethyl-1-methylpyrazol-5-yl)benzamide.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-ethyl-1-methylpyrazol-5-yl)benzamide
PubChem CID86961299
Molecular FormulaC21H22N4O3S
Molecular Weight410.50 g/mol
Exact Mass410.14
IUPAC Name3-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-ethyl-1-methylpyrazol-5-yl)benzamide
SMILESCCc1cc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)n(C)n1
InChIInChI=1S/C21H22N4O3S/c1-3-17-14-20(24(2)23-17)22-21(26)16-8-6-9-18(13-16)29(27,28)25-12-11-15-7-4-5-10-19(15)25/h4-10,13-14H,3,11-12H2,1-2H3,(H,22,26)
InChIKeyQZCYUNPLCPGQHV-UHFFFAOYSA-N
XLogP2.99
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-ethyl-1-methylpyrazol-5-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,3-dihydroindol-1-ylsulfonyl)-N-phenylbenzamide
CID 2704832
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-methylpiperazin-1-yl)benzamide
CID 9204710
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-propan-2-ylphenyl)benzamide
CID 7958230
N-(2-benzamidoethyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 55549519
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2,3-dimethylphenyl)benzamide
CID 7947076
3-(2,3-dihydroindol-1-ylsulfonyl)-N-pyridin-3-ylbenzamide
CID 2477308
N-(3-chlorophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 7900124
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-ethylpent-1-yn-3-yl)benzamide
CID 7924074
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-phenylpyrimidin-5-yl)benzamide
CID 134009183
2-oxopropyl 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 5122086
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 17410337
3-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2501912

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-ethyl-1-methylpyrazol-5-yl)benzamide?
The IUPAC name of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-ethyl-1-methylpyrazol-5-yl)benzamide (CID 86961299) is 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-ethyl-1-methylpyrazol-5-yl)benzamide.
What is the SMILES notation for 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-ethyl-1-methylpyrazol-5-yl)benzamide?
The canonical SMILES for 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-ethyl-1-methylpyrazol-5-yl)benzamide is CCc1cc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)n(C)n1.
What is the InChIKey of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-ethyl-1-methylpyrazol-5-yl)benzamide?
The InChIKey is QZCYUNPLCPGQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3S/c1-3-17-14-20(24(2)23-17)22-21(26)16-8-6-9-18(13-16)29(27,28)25-12-11-15-7-4-5-10-19(15)25/h4-10,13-14H,3,11-12H2,1-2H3,(H,22,26).
What are the key properties of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-ethyl-1-methylpyrazol-5-yl)benzamide?
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-ethyl-1-methylpyrazol-5-yl)benzamide has a molecular weight of 410.50 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-ethyl-1-methylpyrazol-5-yl)benzamide is sourced from PubChem (CID 86961299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).