3-(2,3-dihydroindol-1-ylsulfonyl)-N-[phenyl(2H-tetrazol-5-yl)methyl]benzamide

C23H20N6O3S — CID 154836827

IUPAC3-(2,3-dihydroindol-1-ylsulfonyl)-N-[phenyl(2H-tetrazol-5-yl)methyl]benzamide
SMILESO=C(NC(c1ccccc1)c1nn[nH]n1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C23H20N6O3S/c30-23(24-21(22-25-27-28-26-22)17-8-2-1-3-9-17)18-10-6-11-19(15-18)33(31,32)29-14-13-16-7-4-5-12-20(16)29/h1-12,15,21H,13-14H2,(H,24,30)(H,25,26,27,28)
InChIKeyLSRNXGCZYQTWQW-UHFFFAOYSA-N
MW460.52 g/mol
LogP2.47
Rot. Bonds6

About 3-(2,3-dihydroindol-1-ylsulfonyl)-N-[phenyl(2H-tetrazol-5-yl)methyl]benzamide

3-(2,3-dihydroindol-1-ylsulfonyl)-N-[phenyl(2H-tetrazol-5-yl)methyl]benzamide (PubChem CID 154836827) has the molecular formula C23H20N6O3S and a molecular weight of 460.52 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-ylsulfonyl)-N-[phenyl(2H-tetrazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-ylsulfonyl)-N-[phenyl(2H-tetrazol-5-yl)methyl]benzamide
PubChem CID154836827
Molecular FormulaC23H20N6O3S
Molecular Weight460.52 g/mol
Exact Mass460.13
IUPAC Name3-(2,3-dihydroindol-1-ylsulfonyl)-N-[phenyl(2H-tetrazol-5-yl)methyl]benzamide
SMILESO=C(NC(c1ccccc1)c1nn[nH]n1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C23H20N6O3S/c30-23(24-21(22-25-27-28-26-22)17-8-2-1-3-9-17)18-10-6-11-19(15-18)33(31,32)29-14-13-16-7-4-5-12-20(16)29/h1-12,15,21H,13-14H2,(H,24,30)(H,25,26,27,28)
InChIKeyLSRNXGCZYQTWQW-UHFFFAOYSA-N
XLogP2.47
TPSA120.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.52
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-benzamidoethyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 55549519
3-(2,3-dihydroindol-1-ylsulfonyl)-N-phenylbenzamide
CID 2704832
methyl (2R)-2-[[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]-3-hydroxypropanoate
CID 9277502
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-phenylpyrimidin-5-yl)benzamide
CID 134009183
3-(2,3-dihydroindol-1-ylsulfonyl)-N-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide
CID 56577258
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-methylpiperazin-1-yl)benzamide
CID 9204710
3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 7062520
2-oxopropyl 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 5122086
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 17410337
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-ethyl-1-methylpyrazol-5-yl)benzamide
CID 86961299
3-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(N-propan-2-ylanilino)phenyl]benzamide
CID 2509035
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[1-(3-hydroxyphenyl)ethyl]benzamide
CID 51134120

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-[phenyl(2H-tetrazol-5-yl)methyl]benzamide?
The IUPAC name of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-[phenyl(2H-tetrazol-5-yl)methyl]benzamide (CID 154836827) is 3-(2,3-dihydroindol-1-ylsulfonyl)-N-[phenyl(2H-tetrazol-5-yl)methyl]benzamide.
What is the SMILES notation for 3-(2,3-dihydroindol-1-ylsulfonyl)-N-[phenyl(2H-tetrazol-5-yl)methyl]benzamide?
The canonical SMILES for 3-(2,3-dihydroindol-1-ylsulfonyl)-N-[phenyl(2H-tetrazol-5-yl)methyl]benzamide is O=C(NC(c1ccccc1)c1nn[nH]n1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1.
What is the InChIKey of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-[phenyl(2H-tetrazol-5-yl)methyl]benzamide?
The InChIKey is LSRNXGCZYQTWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O3S/c30-23(24-21(22-25-27-28-26-22)17-8-2-1-3-9-17)18-10-6-11-19(15-18)33(31,32)29-14-13-16-7-4-5-12-20(16)29/h1-12,15,21H,13-14H2,(H,24,30)(H,25,26,27,28).
What are the key properties of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-[phenyl(2H-tetrazol-5-yl)methyl]benzamide?
3-(2,3-dihydroindol-1-ylsulfonyl)-N-[phenyl(2H-tetrazol-5-yl)methyl]benzamide has a molecular weight of 460.52 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindol-1-ylsulfonyl)-N-[phenyl(2H-tetrazol-5-yl)methyl]benzamide is sourced from PubChem (CID 154836827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).