N-[1-(2,2-dimethylpropanoyl)indol-7-yl]benzenesulfonamide

C19H20N2O3S — CID 142745815

IUPACN-[1-(2,2-dimethylpropanoyl)indol-7-yl]benzenesulfonamide
SMILESCC(C)(C)C(=O)n1ccc2cccc(NS(=O)(=O)c3ccccc3)c21
InChIInChI=1S/C19H20N2O3S/c1-19(2,3)18(22)21-13-12-14-8-7-11-16(17(14)21)20-25(23,24)15-9-5-4-6-10-15/h4-13,20H,1-3H3
InChIKeyFXQVPLNVJKLDAD-UHFFFAOYSA-N
MW356.45 g/mol
LogP4.13
Rot. Bonds3

About N-[1-(2,2-dimethylpropanoyl)indol-7-yl]benzenesulfonamide

N-[1-(2,2-dimethylpropanoyl)indol-7-yl]benzenesulfonamide (PubChem CID 142745815) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-[1-(2,2-dimethylpropanoyl)indol-7-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(2,2-dimethylpropanoyl)indol-7-yl]benzenesulfonamide
PubChem CID142745815
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC NameN-[1-(2,2-dimethylpropanoyl)indol-7-yl]benzenesulfonamide
SMILESCC(C)(C)C(=O)n1ccc2cccc(NS(=O)(=O)c3ccccc3)c21
InChIInChI=1S/C19H20N2O3S/c1-19(2,3)18(22)21-13-12-14-8-7-11-16(17(14)21)20-25(23,24)15-9-5-4-6-10-15/h4-13,20H,1-3H3
InChIKeyFXQVPLNVJKLDAD-UHFFFAOYSA-N
XLogP4.13
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-dimethylpropanoyl)indol-7-yl]benzenesulfonamide?
The IUPAC name of N-[1-(2,2-dimethylpropanoyl)indol-7-yl]benzenesulfonamide (CID 142745815) is N-[1-(2,2-dimethylpropanoyl)indol-7-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-(2,2-dimethylpropanoyl)indol-7-yl]benzenesulfonamide?
The canonical SMILES for N-[1-(2,2-dimethylpropanoyl)indol-7-yl]benzenesulfonamide is CC(C)(C)C(=O)n1ccc2cccc(NS(=O)(=O)c3ccccc3)c21.
What is the InChIKey of N-[1-(2,2-dimethylpropanoyl)indol-7-yl]benzenesulfonamide?
The InChIKey is FXQVPLNVJKLDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-19(2,3)18(22)21-13-12-14-8-7-11-16(17(14)21)20-25(23,24)15-9-5-4-6-10-15/h4-13,20H,1-3H3.
What are the key properties of N-[1-(2,2-dimethylpropanoyl)indol-7-yl]benzenesulfonamide?
N-[1-(2,2-dimethylpropanoyl)indol-7-yl]benzenesulfonamide has a molecular weight of 356.45 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-dimethylpropanoyl)indol-7-yl]benzenesulfonamide is sourced from PubChem (CID 142745815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).