3-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide

C21H19N3O3S — CID 109064798

IUPAC3-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESO=C(c1cccc(S(=O)(=O)NCc2ccccn2)c1)N1CCc2ccccc21
InChIInChI=1S/C21H19N3O3S/c25-21(24-13-11-16-6-1-2-10-20(16)24)17-7-5-9-19(14-17)28(26,27)23-15-18-8-3-4-12-22-18/h1-10,12,14,23H,11,13,15H2
InChIKeyMSYSPUJOKWBVOC-UHFFFAOYSA-N
MW393.47 g/mol
LogP2.76
Rot. Bonds5

About 3-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide

3-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide (PubChem CID 109064798) has the molecular formula C21H19N3O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is 3-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
PubChem CID109064798
Molecular FormulaC21H19N3O3S
Molecular Weight393.47 g/mol
Exact Mass393.11
IUPAC Name3-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESO=C(c1cccc(S(=O)(=O)NCc2ccccn2)c1)N1CCc2ccccc21
InChIInChI=1S/C21H19N3O3S/c25-21(24-13-11-16-6-1-2-10-20(16)24)17-7-5-9-19(14-17)28(26,27)23-15-18-8-3-4-12-22-18/h1-10,12,14,23H,11,13,15H2
InChIKeyMSYSPUJOKWBVOC-UHFFFAOYSA-N
XLogP2.76
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide (CID 109064798) is 3-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide is O=C(c1cccc(S(=O)(=O)NCc2ccccn2)c1)N1CCc2ccccc21.
What is the InChIKey of 3-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The InChIKey is MSYSPUJOKWBVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S/c25-21(24-13-11-16-6-1-2-10-20(16)24)17-7-5-9-19(14-17)28(26,27)23-15-18-8-3-4-12-22-18/h1-10,12,14,23H,11,13,15H2.
What are the key properties of 3-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide?
3-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide has a molecular weight of 393.47 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 109064798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).