1-acetyl-N-(4-butan-2-ylphenyl)-2,3-dihydroindole-5-sulfonamide

C20H24N2O3S — CID 24509967

IUPAC1-acetyl-N-(4-butan-2-ylphenyl)-2,3-dihydroindole-5-sulfonamide
SMILESCCC(C)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc1
InChIInChI=1S/C20H24N2O3S/c1-4-14(2)16-5-7-18(8-6-16)21-26(24,25)19-9-10-20-17(13-19)11-12-22(20)15(3)23/h5-10,13-14,21H,4,11-12H2,1-3H3
InChIKeyXBYDZNZPIVYCEG-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.91
Rot. Bonds5

About 1-acetyl-N-(4-butan-2-ylphenyl)-2,3-dihydroindole-5-sulfonamide

1-acetyl-N-(4-butan-2-ylphenyl)-2,3-dihydroindole-5-sulfonamide (PubChem CID 24509967) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 1-acetyl-N-(4-butan-2-ylphenyl)-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-(4-butan-2-ylphenyl)-2,3-dihydroindole-5-sulfonamide
PubChem CID24509967
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name1-acetyl-N-(4-butan-2-ylphenyl)-2,3-dihydroindole-5-sulfonamide
SMILESCCC(C)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc1
InChIInChI=1S/C20H24N2O3S/c1-4-14(2)16-5-7-18(8-6-16)21-26(24,25)19-9-10-20-17(13-19)11-12-22(20)15(3)23/h5-10,13-14,21H,4,11-12H2,1-3H3
InChIKeyXBYDZNZPIVYCEG-UHFFFAOYSA-N
XLogP3.91
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-N-butan-2-yl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 60681169
1-acetyl-N-[4-(cyclopropanecarbonyl)phenyl]-2,3-dihydroindole-5-sulfonamide
CID 110425311
1-acetyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-2,3-dihydroindole-5-sulfonamide
CID 133191766
1-(cyclobutanecarbonyl)-N-(4-propan-2-ylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 20853270
1-acetyl-N-[(2R)-2-hydroxypropyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 39452518
N-[3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]phenyl]acetamide
CID 40687880
1-acetyl-N-hydroxy-2,3-dihydroindole-5-sulfonamide
CID 82088952
1-acetyl-N-(4-piperidin-1-ylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 100516505
1-acetyl-N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,3-dihydroindole-5-sulfonamide
CID 24510126
1-acetyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 133191767
1-acetyl-2,3-dihydroindole-5-sulfonohydrazide
CID 43476939
1-acetyl-N-(3,5-dimethylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3453923

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(4-butan-2-ylphenyl)-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-acetyl-N-(4-butan-2-ylphenyl)-2,3-dihydroindole-5-sulfonamide (CID 24509967) is 1-acetyl-N-(4-butan-2-ylphenyl)-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-acetyl-N-(4-butan-2-ylphenyl)-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-acetyl-N-(4-butan-2-ylphenyl)-2,3-dihydroindole-5-sulfonamide is CCC(C)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc1.
What is the InChIKey of 1-acetyl-N-(4-butan-2-ylphenyl)-2,3-dihydroindole-5-sulfonamide?
The InChIKey is XBYDZNZPIVYCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-4-14(2)16-5-7-18(8-6-16)21-26(24,25)19-9-10-20-17(13-19)11-12-22(20)15(3)23/h5-10,13-14,21H,4,11-12H2,1-3H3.
What are the key properties of 1-acetyl-N-(4-butan-2-ylphenyl)-2,3-dihydroindole-5-sulfonamide?
1-acetyl-N-(4-butan-2-ylphenyl)-2,3-dihydroindole-5-sulfonamide has a molecular weight of 372.49 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(4-butan-2-ylphenyl)-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 24509967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).