1-acetyl-N-(2-bromo-4-methylphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide

C19H21BrN2O3S — CID 53105564

IUPAC1-acetyl-N-(2-bromo-4-methylphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide
SMILESCC(=O)N1CC(C)(C)c2cc(S(=O)(=O)Nc3ccc(C)cc3Br)ccc21
InChIInChI=1S/C19H21BrN2O3S/c1-12-5-7-17(16(20)9-12)21-26(24,25)14-6-8-18-15(10-14)19(3,4)11-22(18)13(2)23/h5-10,21H,11H2,1-4H3
InChIKeyBKQYLYROGMIWLC-UHFFFAOYSA-N
MW437.36 g/mol
LogP4.20
Rot. Bonds3

About 1-acetyl-N-(2-bromo-4-methylphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide

1-acetyl-N-(2-bromo-4-methylphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide (PubChem CID 53105564) has the molecular formula C19H21BrN2O3S and a molecular weight of 437.36 g/mol. Its IUPAC name is 1-acetyl-N-(2-bromo-4-methylphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-(2-bromo-4-methylphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide
PubChem CID53105564
Molecular FormulaC19H21BrN2O3S
Molecular Weight437.36 g/mol
Exact Mass436.05
IUPAC Name1-acetyl-N-(2-bromo-4-methylphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide
SMILESCC(=O)N1CC(C)(C)c2cc(S(=O)(=O)Nc3ccc(C)cc3Br)ccc21
InChIInChI=1S/C19H21BrN2O3S/c1-12-5-7-17(16(20)9-12)21-26(24,25)14-6-8-18-15(10-14)19(3,4)11-22(18)13(2)23/h5-10,21H,11H2,1-4H3
InChIKeyBKQYLYROGMIWLC-UHFFFAOYSA-N
XLogP4.20
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.36
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-N-(2,6-dimethylphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide
CID 53105534
1-(3,3,5-trimethyl-2H-indol-1-yl)ethanone
CID 18684894
5-acetyl-N-(2-bromo-4-methylphenyl)-3,4-dihydro-2H-1,5-benzothiazepine-7-sulfonamide
CID 53083586
1-(cyclopropanecarbonyl)-N-(3,5-dimethylphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide
CID 53105806
5-[(2-bromo-4-methylphenyl)sulfamoyl]-N-methyl-2,3-dihydroindole-1-carboxamide
CID 53059187
N-(4-fluoro-2-methylphenyl)-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide
CID 53105711
1-(cyclopropanecarbonyl)-N-(2,4-dimethoxyphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide
CID 53105742
3-acetyl-N-(2-bromo-4-methylphenyl)benzenesulfonamide
CID 26979454
N-[4-(diethylamino)-2-methylphenyl]-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide
CID 53105717
1-acetyl-N-[(3-methoxyphenyl)methyl]-3,3-dimethyl-2H-indole-5-sulfonamide
CID 53105579
N-(2-ethoxyphenyl)-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide
CID 53105705
1-acetyl-5-bromo-N-(2-bromo-4-methylphenyl)-2,3-dihydroindole-7-sulfonamide
CID 22421372

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(2-bromo-4-methylphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide?
The IUPAC name of 1-acetyl-N-(2-bromo-4-methylphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide (CID 53105564) is 1-acetyl-N-(2-bromo-4-methylphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide.
What is the SMILES notation for 1-acetyl-N-(2-bromo-4-methylphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide?
The canonical SMILES for 1-acetyl-N-(2-bromo-4-methylphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide is CC(=O)N1CC(C)(C)c2cc(S(=O)(=O)Nc3ccc(C)cc3Br)ccc21.
What is the InChIKey of 1-acetyl-N-(2-bromo-4-methylphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide?
The InChIKey is BKQYLYROGMIWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O3S/c1-12-5-7-17(16(20)9-12)21-26(24,25)14-6-8-18-15(10-14)19(3,4)11-22(18)13(2)23/h5-10,21H,11H2,1-4H3.
What are the key properties of 1-acetyl-N-(2-bromo-4-methylphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide?
1-acetyl-N-(2-bromo-4-methylphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide has a molecular weight of 437.36 g/mol, XLogP of 4.20, 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-bromo-4-methylphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide is sourced from PubChem (CID 53105564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).