1-[(4-phenylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide

C21H20N2O2S — CID 34913237

IUPAC1-[(4-phenylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)CCN2Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H20N2O2S/c22-26(24,25)20-10-11-21-19(14-20)12-13-23(21)15-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-11,14H,12-13,15H2,(H2,22,24,25)
InChIKeyARGBGLXPVHNRKT-UHFFFAOYSA-N
MW364.47 g/mol
LogP3.56
Rot. Bonds4

About 1-[(4-phenylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide

1-[(4-phenylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 34913237) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is 1-[(4-phenylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-[(4-phenylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID34913237
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC Name1-[(4-phenylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)CCN2Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H20N2O2S/c22-26(24,25)20-10-11-21-19(14-20)12-13-23(21)15-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-11,14H,12-13,15H2,(H2,22,24,25)
InChIKeyARGBGLXPVHNRKT-UHFFFAOYSA-N
XLogP3.56
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-fluorophenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 71943822
1-[(2-bromophenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 17398357
1-[(2,6-dichlorophenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 36943943
1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 25382319
1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 34913690
1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 18124778
1-(3-aminopropyl)-2,3-dihydroindole-5-sulfonamide
CID 28917333
1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2,3-dihydroindole-5-sulfonamide
CID 17414801
1-(1,3-benzodioxol-4-ylmethyl)-2,3-dihydroindole-5-sulfonamide
CID 75386054
1-(2-phenylethylsulfonyl)-2,3-dihydroindole-5-sulfonamide
CID 60531722
N-(2-cyanoethyl)-N-phenyl-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide
CID 55470772
1-[(2-methyl-3-nitrophenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 60505069

Frequently Asked Questions

What is the IUPAC name of 1-[(4-phenylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-[(4-phenylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide (CID 34913237) is 1-[(4-phenylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-[(4-phenylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-[(4-phenylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide is NS(=O)(=O)c1ccc2c(c1)CCN2Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-[(4-phenylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is ARGBGLXPVHNRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2S/c22-26(24,25)20-10-11-21-19(14-20)12-13-23(21)15-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-11,14H,12-13,15H2,(H2,22,24,25).
What are the key properties of 1-[(4-phenylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide?
1-[(4-phenylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 364.47 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-phenylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 34913237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).