4-(2,3-dihydroindol-1-ylsulfonyl)-N-[(4-fluorophenyl)methyl]benzamide

C22H19FN2O3S — CID 58975118

IUPAC4-(2,3-dihydroindol-1-ylsulfonyl)-N-[(4-fluorophenyl)methyl]benzamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C22H19FN2O3S/c23-19-9-5-16(6-10-19)15-24-22(26)18-7-11-20(12-8-18)29(27,28)25-14-13-17-3-1-2-4-21(17)25/h1-12H,13-15H2,(H,24,26)
InChIKeyIZAWZSGSLIDKDF-UHFFFAOYSA-N
MW410.47 g/mol
LogP3.51
Rot. Bonds5

About 4-(2,3-dihydroindol-1-ylsulfonyl)-N-[(4-fluorophenyl)methyl]benzamide

4-(2,3-dihydroindol-1-ylsulfonyl)-N-[(4-fluorophenyl)methyl]benzamide (PubChem CID 58975118) has the molecular formula C22H19FN2O3S and a molecular weight of 410.47 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-ylsulfonyl)-N-[(4-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-ylsulfonyl)-N-[(4-fluorophenyl)methyl]benzamide
PubChem CID58975118
Molecular FormulaC22H19FN2O3S
Molecular Weight410.47 g/mol
Exact Mass410.11
IUPAC Name4-(2,3-dihydroindol-1-ylsulfonyl)-N-[(4-fluorophenyl)methyl]benzamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C22H19FN2O3S/c23-19-9-5-16(6-10-19)15-24-22(26)18-7-11-20(12-8-18)29(27,28)25-14-13-17-3-1-2-4-21(17)25/h1-12H,13-15H2,(H,24,26)
InChIKeyIZAWZSGSLIDKDF-UHFFFAOYSA-N
XLogP3.51
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dihydroindol-1-ylsulfonyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide
CID 22519208
N-[(4-methylphenyl)methyl]-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-carboxamide
CID 23608841
4-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid
CID 856543
N,N-dibenzyl-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 4128008
N-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 20943913
N-(2-benzamidoethyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 55549519
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-4-phenylbenzamide
CID 1010301
4-fluoro-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 759573
4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[(4-fluorophenyl)methyl]benzamide
CID 7925561
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]pyridine-4-carboxamide
CID 4930404
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-4-nitrobenzamide
CID 1362502
N-[(4-fluorophenyl)methyl]-4-(3-methylindol-1-yl)sulfonylbenzamide
CID 58975171

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindol-1-ylsulfonyl)-N-[(4-fluorophenyl)methyl]benzamide?
The IUPAC name of 4-(2,3-dihydroindol-1-ylsulfonyl)-N-[(4-fluorophenyl)methyl]benzamide (CID 58975118) is 4-(2,3-dihydroindol-1-ylsulfonyl)-N-[(4-fluorophenyl)methyl]benzamide.
What is the SMILES notation for 4-(2,3-dihydroindol-1-ylsulfonyl)-N-[(4-fluorophenyl)methyl]benzamide?
The canonical SMILES for 4-(2,3-dihydroindol-1-ylsulfonyl)-N-[(4-fluorophenyl)methyl]benzamide is O=C(NCc1ccc(F)cc1)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of 4-(2,3-dihydroindol-1-ylsulfonyl)-N-[(4-fluorophenyl)methyl]benzamide?
The InChIKey is IZAWZSGSLIDKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O3S/c23-19-9-5-16(6-10-19)15-24-22(26)18-7-11-20(12-8-18)29(27,28)25-14-13-17-3-1-2-4-21(17)25/h1-12H,13-15H2,(H,24,26).
What are the key properties of 4-(2,3-dihydroindol-1-ylsulfonyl)-N-[(4-fluorophenyl)methyl]benzamide?
4-(2,3-dihydroindol-1-ylsulfonyl)-N-[(4-fluorophenyl)methyl]benzamide has a molecular weight of 410.47 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindol-1-ylsulfonyl)-N-[(4-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 58975118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).