5-(1H-indol-3-ylmethyl)-2-methoxy-N-(2-methylphenyl)sulfonylbenzamide

C24H22N2O4S — CID 155383706

IUPAC5-(1H-indol-3-ylmethyl)-2-methoxy-N-(2-methylphenyl)sulfonylbenzamide
SMILESCOc1ccc(Cc2c[nH]c3ccccc23)cc1C(=O)NS(=O)(=O)c1ccccc1C
InChIInChI=1S/C24H22N2O4S/c1-16-7-3-6-10-23(16)31(28,29)26-24(27)20-14-17(11-12-22(20)30-2)13-18-15-25-21-9-5-4-8-19(18)21/h3-12,14-15,25H,13H2,1-2H3,(H,26,27)
InChIKeyPUQZAAXVBUFZQP-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.19
Rot. Bonds6

About 5-(1H-indol-3-ylmethyl)-2-methoxy-N-(2-methylphenyl)sulfonylbenzamide

5-(1H-indol-3-ylmethyl)-2-methoxy-N-(2-methylphenyl)sulfonylbenzamide (PubChem CID 155383706) has the molecular formula C24H22N2O4S and a molecular weight of 434.52 g/mol. Its IUPAC name is 5-(1H-indol-3-ylmethyl)-2-methoxy-N-(2-methylphenyl)sulfonylbenzamide.

Molecular Properties

Compound Name5-(1H-indol-3-ylmethyl)-2-methoxy-N-(2-methylphenyl)sulfonylbenzamide
PubChem CID155383706
Molecular FormulaC24H22N2O4S
Molecular Weight434.52 g/mol
Exact Mass434.13
IUPAC Name5-(1H-indol-3-ylmethyl)-2-methoxy-N-(2-methylphenyl)sulfonylbenzamide
SMILESCOc1ccc(Cc2c[nH]c3ccccc23)cc1C(=O)NS(=O)(=O)c1ccccc1C
InChIInChI=1S/C24H22N2O4S/c1-16-7-3-6-10-23(16)31(28,29)26-24(27)20-14-17(11-12-22(20)30-2)13-18-15-25-21-9-5-4-8-19(18)21/h3-12,14-15,25H,13H2,1-2H3,(H,26,27)
InChIKeyPUQZAAXVBUFZQP-UHFFFAOYSA-N
XLogP4.19
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-indol-3-ylmethyl)-2-methoxy-N-(2-methylphenyl)sulfonylbenzamide?
The IUPAC name of 5-(1H-indol-3-ylmethyl)-2-methoxy-N-(2-methylphenyl)sulfonylbenzamide (CID 155383706) is 5-(1H-indol-3-ylmethyl)-2-methoxy-N-(2-methylphenyl)sulfonylbenzamide.
What is the SMILES notation for 5-(1H-indol-3-ylmethyl)-2-methoxy-N-(2-methylphenyl)sulfonylbenzamide?
The canonical SMILES for 5-(1H-indol-3-ylmethyl)-2-methoxy-N-(2-methylphenyl)sulfonylbenzamide is COc1ccc(Cc2c[nH]c3ccccc23)cc1C(=O)NS(=O)(=O)c1ccccc1C.
What is the InChIKey of 5-(1H-indol-3-ylmethyl)-2-methoxy-N-(2-methylphenyl)sulfonylbenzamide?
The InChIKey is PUQZAAXVBUFZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4S/c1-16-7-3-6-10-23(16)31(28,29)26-24(27)20-14-17(11-12-22(20)30-2)13-18-15-25-21-9-5-4-8-19(18)21/h3-12,14-15,25H,13H2,1-2H3,(H,26,27).
What are the key properties of 5-(1H-indol-3-ylmethyl)-2-methoxy-N-(2-methylphenyl)sulfonylbenzamide?
5-(1H-indol-3-ylmethyl)-2-methoxy-N-(2-methylphenyl)sulfonylbenzamide has a molecular weight of 434.52 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indol-3-ylmethyl)-2-methoxy-N-(2-methylphenyl)sulfonylbenzamide is sourced from PubChem (CID 155383706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).