3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(2-pyrazol-1-ylphenyl)benzamide

C25H22N4O3S — CID 55647546

IUPAC3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(2-pyrazol-1-ylphenyl)benzamide
SMILESCC1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)Nc2ccccc2-n2cccn2)c1
InChIInChI=1S/C25H22N4O3S/c1-18-16-19-8-2-4-12-23(19)29(18)33(31,32)21-10-6-9-20(17-21)25(30)27-22-11-3-5-13-24(22)28-15-7-14-26-28/h2-15,17-18H,16H2,1H3,(H,27,30)
InChIKeyFEXZRFFYAYPXDZ-UHFFFAOYSA-N
MW458.54 g/mol
LogP4.26
Rot. Bonds5

About 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(2-pyrazol-1-ylphenyl)benzamide

3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(2-pyrazol-1-ylphenyl)benzamide (PubChem CID 55647546) has the molecular formula C25H22N4O3S and a molecular weight of 458.54 g/mol. Its IUPAC name is 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(2-pyrazol-1-ylphenyl)benzamide.

Molecular Properties

Compound Name3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(2-pyrazol-1-ylphenyl)benzamide
PubChem CID55647546
Molecular FormulaC25H22N4O3S
Molecular Weight458.54 g/mol
Exact Mass458.14
IUPAC Name3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(2-pyrazol-1-ylphenyl)benzamide
SMILESCC1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)Nc2ccccc2-n2cccn2)c1
InChIInChI=1S/C25H22N4O3S/c1-18-16-19-8-2-4-12-23(19)29(18)33(31,32)21-10-6-9-20(17-21)25(30)27-22-11-3-5-13-24(22)28-15-7-14-26-28/h2-15,17-18H,16H2,1H3,(H,27,30)
InChIKeyFEXZRFFYAYPXDZ-UHFFFAOYSA-N
XLogP4.26
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(2-pyrazol-1-ylphenyl)benzamide?
The IUPAC name of 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(2-pyrazol-1-ylphenyl)benzamide (CID 55647546) is 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(2-pyrazol-1-ylphenyl)benzamide.
What is the SMILES notation for 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(2-pyrazol-1-ylphenyl)benzamide?
The canonical SMILES for 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(2-pyrazol-1-ylphenyl)benzamide is CC1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)Nc2ccccc2-n2cccn2)c1.
What is the InChIKey of 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(2-pyrazol-1-ylphenyl)benzamide?
The InChIKey is FEXZRFFYAYPXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3S/c1-18-16-19-8-2-4-12-23(19)29(18)33(31,32)21-10-6-9-20(17-21)25(30)27-22-11-3-5-13-24(22)28-15-7-14-26-28/h2-15,17-18H,16H2,1H3,(H,27,30).
What are the key properties of 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(2-pyrazol-1-ylphenyl)benzamide?
3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(2-pyrazol-1-ylphenyl)benzamide has a molecular weight of 458.54 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(2-pyrazol-1-ylphenyl)benzamide is sourced from PubChem (CID 55647546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).