3-(2,3-dihydroindol-1-ylsulfonyl)-N-(6-methoxy-3-pyridinyl)benzamide

C21H19N3O4S — CID 2414409

IUPAC3-(2,3-dihydroindol-1-ylsulfonyl)-N-(6-methoxy-3-pyridinyl)benzamide
SMILESCOc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)cn1
InChIInChI=1S/C21H19N3O4S/c1-28-20-10-9-17(14-22-20)23-21(25)16-6-4-7-18(13-16)29(26,27)24-12-11-15-5-2-3-8-19(15)24/h2-10,13-14H,11-12H2,1H3,(H,23,25)
InChIKeyBSQYYACLPDUEJZ-UHFFFAOYSA-N
MW409.47 g/mol
LogP3.09
Rot. Bonds5

About 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(6-methoxy-3-pyridinyl)benzamide

3-(2,3-dihydroindol-1-ylsulfonyl)-N-(6-methoxy-3-pyridinyl)benzamide (PubChem CID 2414409) has the molecular formula C21H19N3O4S and a molecular weight of 409.47 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(6-methoxy-3-pyridinyl)benzamide.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-ylsulfonyl)-N-(6-methoxy-3-pyridinyl)benzamide
PubChem CID2414409
Molecular FormulaC21H19N3O4S
Molecular Weight409.47 g/mol
Exact Mass409.11
IUPAC Name3-(2,3-dihydroindol-1-ylsulfonyl)-N-(6-methoxy-3-pyridinyl)benzamide
SMILESCOc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)cn1
InChIInChI=1S/C21H19N3O4S/c1-28-20-10-9-17(14-22-20)23-21(25)16-6-4-7-18(13-16)29(26,27)24-12-11-15-5-2-3-8-19(15)24/h2-10,13-14H,11-12H2,1H3,(H,23,25)
InChIKeyBSQYYACLPDUEJZ-UHFFFAOYSA-N
XLogP3.09
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(6-methoxy-3-pyridinyl)benzamide?
The IUPAC name of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(6-methoxy-3-pyridinyl)benzamide (CID 2414409) is 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(6-methoxy-3-pyridinyl)benzamide.
What is the SMILES notation for 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(6-methoxy-3-pyridinyl)benzamide?
The canonical SMILES for 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(6-methoxy-3-pyridinyl)benzamide is COc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)cn1.
What is the InChIKey of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(6-methoxy-3-pyridinyl)benzamide?
The InChIKey is BSQYYACLPDUEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4S/c1-28-20-10-9-17(14-22-20)23-21(25)16-6-4-7-18(13-16)29(26,27)24-12-11-15-5-2-3-8-19(15)24/h2-10,13-14H,11-12H2,1H3,(H,23,25).
What are the key properties of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(6-methoxy-3-pyridinyl)benzamide?
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(6-methoxy-3-pyridinyl)benzamide has a molecular weight of 409.47 g/mol, XLogP of 3.09, 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-(6-methoxy-3-pyridinyl)benzamide is sourced from PubChem (CID 2414409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).