N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzamide

C22H20N2O4S — CID 25168005

IUPACN-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCc3cccc(NC(=O)c4ccccc4)c32)cc1
InChIInChI=1S/C22H20N2O4S/c1-28-18-10-12-19(13-11-18)29(26,27)24-15-14-16-8-5-9-20(21(16)24)23-22(25)17-6-3-2-4-7-17/h2-13H,14-15H2,1H3,(H,23,25)
InChIKeyBGFJLDPCWVTNKT-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.70
Rot. Bonds5

About N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzamide

N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzamide (PubChem CID 25168005) has the molecular formula C22H20N2O4S and a molecular weight of 408.48 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzamide
PubChem CID25168005
Molecular FormulaC22H20N2O4S
Molecular Weight408.48 g/mol
Exact Mass408.11
IUPAC NameN-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCc3cccc(NC(=O)c4ccccc4)c32)cc1
InChIInChI=1S/C22H20N2O4S/c1-28-18-10-12-19(13-11-18)29(26,27)24-15-14-16-8-5-9-20(21(16)24)23-22(25)17-6-3-2-4-7-17/h2-13H,14-15H2,1H3,(H,23,25)
InChIKeyBGFJLDPCWVTNKT-UHFFFAOYSA-N
XLogP3.70
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzamide?
The IUPAC name of N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzamide (CID 25168005) is N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzamide is COc1ccc(S(=O)(=O)N2CCc3cccc(NC(=O)c4ccccc4)c32)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzamide?
The InChIKey is BGFJLDPCWVTNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4S/c1-28-18-10-12-19(13-11-18)29(26,27)24-15-14-16-8-5-9-20(21(16)24)23-22(25)17-6-3-2-4-7-17/h2-13H,14-15H2,1H3,(H,23,25).
What are the key properties of N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzamide?
N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzamide has a molecular weight of 408.48 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzamide is sourced from PubChem (CID 25168005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).