N-(3,5-dimethoxyphenyl)-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide

C22H28N2O5S — CID 53105642

IUPACN-(3,5-dimethoxyphenyl)-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc3c(c2)C(C)(C)CN3C(=O)C(C)C)cc(OC)c1
InChIInChI=1S/C22H28N2O5S/c1-14(2)21(25)24-13-22(3,4)19-12-18(7-8-20(19)24)30(26,27)23-15-9-16(28-5)11-17(10-15)29-6/h7-12,14,23H,13H2,1-6H3
InChIKeyITKBOHMLTLEOET-UHFFFAOYSA-N
MW432.54 g/mol
LogP3.78
Rot. Bonds6

About N-(3,5-dimethoxyphenyl)-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide

N-(3,5-dimethoxyphenyl)-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide (PubChem CID 53105642) has the molecular formula C22H28N2O5S and a molecular weight of 432.54 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide
PubChem CID53105642
Molecular FormulaC22H28N2O5S
Molecular Weight432.54 g/mol
Exact Mass432.17
IUPAC NameN-(3,5-dimethoxyphenyl)-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc3c(c2)C(C)(C)CN3C(=O)C(C)C)cc(OC)c1
InChIInChI=1S/C22H28N2O5S/c1-14(2)21(25)24-13-22(3,4)19-12-18(7-8-20(19)24)30(26,27)23-15-9-16(28-5)11-17(10-15)29-6/h7-12,14,23H,13H2,1-6H3
InChIKeyITKBOHMLTLEOET-UHFFFAOYSA-N
XLogP3.78
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide (CID 53105642) is N-(3,5-dimethoxyphenyl)-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide is COc1cc(NS(=O)(=O)c2ccc3c(c2)C(C)(C)CN3C(=O)C(C)C)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide?
The InChIKey is ITKBOHMLTLEOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5S/c1-14(2)21(25)24-13-22(3,4)19-12-18(7-8-20(19)24)30(26,27)23-15-9-16(28-5)11-17(10-15)29-6/h7-12,14,23H,13H2,1-6H3.
What are the key properties of N-(3,5-dimethoxyphenyl)-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide?
N-(3,5-dimethoxyphenyl)-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide has a molecular weight of 432.54 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide is sourced from PubChem (CID 53105642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).