3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(pyridin-4-ylmethyl)benzamide

C22H21N3O3S — CID 4175707

IUPAC3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(pyridin-4-ylmethyl)benzamide
SMILESCC1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)NCc2ccncc2)c1
InChIInChI=1S/C22H21N3O3S/c1-16-13-18-5-2-3-8-21(18)25(16)29(27,28)20-7-4-6-19(14-20)22(26)24-15-17-9-11-23-12-10-17/h2-12,14,16H,13,15H2,1H3,(H,24,26)
InChIKeyLCXLOXWMYGQGGG-UHFFFAOYSA-N
MW407.50 g/mol
LogP3.15
Rot. Bonds5

About 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(pyridin-4-ylmethyl)benzamide

3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 4175707) has the molecular formula C22H21N3O3S and a molecular weight of 407.50 g/mol. Its IUPAC name is 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(pyridin-4-ylmethyl)benzamide
PubChem CID4175707
Molecular FormulaC22H21N3O3S
Molecular Weight407.50 g/mol
Exact Mass407.13
IUPAC Name3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(pyridin-4-ylmethyl)benzamide
SMILESCC1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)NCc2ccncc2)c1
InChIInChI=1S/C22H21N3O3S/c1-16-13-18-5-2-3-8-21(18)25(16)29(27,28)20-7-4-6-19(14-20)22(26)24-15-17-9-11-23-12-10-17/h2-12,14,16H,13,15H2,1H3,(H,24,26)
InChIKeyLCXLOXWMYGQGGG-UHFFFAOYSA-N
XLogP3.15
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 55697733
N-(1,3-benzodioxol-5-ylmethyl)-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide
CID 2334440
3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-propylbenzamide
CID 109062095
N-[2-(4-methoxyphenyl)ethyl]-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide
CID 4876869
N-[(2S)-1-hydroxybutan-2-yl]-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide
CID 6596823
N-(1-hydroxybutan-2-yl)-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide
CID 2997709
3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 4524824
N'-[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 55455151
3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-N,N-bis(prop-2-enyl)benzamide
CID 2344808
3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 25383378
azocan-1-yl-[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanone
CID 55332107
N-[(1S)-1-(furan-2-yl)ethyl]-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide
CID 41041573

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(pyridin-4-ylmethyl)benzamide (CID 4175707) is 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(pyridin-4-ylmethyl)benzamide is CC1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)NCc2ccncc2)c1.
What is the InChIKey of 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is LCXLOXWMYGQGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3S/c1-16-13-18-5-2-3-8-21(18)25(16)29(27,28)20-7-4-6-19(14-20)22(26)24-15-17-9-11-23-12-10-17/h2-12,14,16H,13,15H2,1H3,(H,24,26).
What are the key properties of 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(pyridin-4-ylmethyl)benzamide?
3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 407.50 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 4175707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).