1-acetyl-N-(2,6-dimethylphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide

C20H24N2O3S — CID 53105534

IUPAC1-acetyl-N-(2,6-dimethylphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide
SMILESCC(=O)N1CC(C)(C)c2cc(S(=O)(=O)Nc3c(C)cccc3C)ccc21
InChIInChI=1S/C20H24N2O3S/c1-13-7-6-8-14(2)19(13)21-26(24,25)16-9-10-18-17(11-16)20(4,5)12-22(18)15(3)23/h6-11,21H,12H2,1-5H3
InChIKeyQJSPKNNNRZZCIK-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.75
Rot. Bonds3

About 1-acetyl-N-(2,6-dimethylphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide

1-acetyl-N-(2,6-dimethylphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide (PubChem CID 53105534) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 1-acetyl-N-(2,6-dimethylphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-(2,6-dimethylphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide
PubChem CID53105534
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name1-acetyl-N-(2,6-dimethylphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide
SMILESCC(=O)N1CC(C)(C)c2cc(S(=O)(=O)Nc3c(C)cccc3C)ccc21
InChIInChI=1S/C20H24N2O3S/c1-13-7-6-8-14(2)19(13)21-26(24,25)16-9-10-18-17(11-16)20(4,5)12-22(18)15(3)23/h6-11,21H,12H2,1-5H3
InChIKeyQJSPKNNNRZZCIK-UHFFFAOYSA-N
XLogP3.75
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-N-(2-bromo-4-methylphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide
CID 53105564
1-acetyl-N-[(3-methoxyphenyl)methyl]-3,3-dimethyl-2H-indole-5-sulfonamide
CID 53105579
N-(3-acetylphenyl)-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide
CID 53105681
1-(3,3,5-trimethyl-2H-indol-1-yl)ethanone
CID 18684894
1-(cyclopropanecarbonyl)-N-(3,5-dimethylphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide
CID 53105806
N-(4-fluoro-2-methylphenyl)-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide
CID 53105711
2-acetyl-N-(2,6-dimethylphenyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 110300841
N-(3,5-dimethoxyphenyl)-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide
CID 53105642
N-(4-methoxyphenyl)-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide
CID 53105628
3,3-dimethyl-N-(2-methylphenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-indole-5-sulfonamide
CID 46385622
methyl 4-[[3,3-dimethyl-1-(2-methylpropanoyl)-2H-indol-5-yl]sulfonylamino]benzoate
CID 53105722
N-[4-(diethylamino)-2-methylphenyl]-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide
CID 53105717

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(2,6-dimethylphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide?
The IUPAC name of 1-acetyl-N-(2,6-dimethylphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide (CID 53105534) is 1-acetyl-N-(2,6-dimethylphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide.
What is the SMILES notation for 1-acetyl-N-(2,6-dimethylphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide?
The canonical SMILES for 1-acetyl-N-(2,6-dimethylphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide is CC(=O)N1CC(C)(C)c2cc(S(=O)(=O)Nc3c(C)cccc3C)ccc21.
What is the InChIKey of 1-acetyl-N-(2,6-dimethylphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide?
The InChIKey is QJSPKNNNRZZCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-13-7-6-8-14(2)19(13)21-26(24,25)16-9-10-18-17(11-16)20(4,5)12-22(18)15(3)23/h6-11,21H,12H2,1-5H3.
What are the key properties of 1-acetyl-N-(2,6-dimethylphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide?
1-acetyl-N-(2,6-dimethylphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide has a molecular weight of 372.49 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(2,6-dimethylphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide is sourced from PubChem (CID 53105534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).