N-tert-butyl-4-(3-methyl-2-oxo-1H-indol-3-yl)benzenesulfonamide

C19H22N2O3S — CID 178047977

IUPACN-tert-butyl-4-(3-methyl-2-oxo-1H-indol-3-yl)benzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(C2(C)C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C19H22N2O3S/c1-18(2,3)21-25(23,24)14-11-9-13(10-12-14)19(4)15-7-5-6-8-16(15)20-17(19)22/h5-12,21H,1-4H3,(H,20,22)
InChIKeyMUHRHUSLXPBKMR-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.02
Rot. Bonds3

About N-tert-butyl-4-(3-methyl-2-oxo-1H-indol-3-yl)benzenesulfonamide

N-tert-butyl-4-(3-methyl-2-oxo-1H-indol-3-yl)benzenesulfonamide (PubChem CID 178047977) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-tert-butyl-4-(3-methyl-2-oxo-1H-indol-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-4-(3-methyl-2-oxo-1H-indol-3-yl)benzenesulfonamide
PubChem CID178047977
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-tert-butyl-4-(3-methyl-2-oxo-1H-indol-3-yl)benzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(C2(C)C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C19H22N2O3S/c1-18(2,3)21-25(23,24)14-11-9-13(10-12-14)19(4)15-7-5-6-8-16(15)20-17(19)22/h5-12,21H,1-4H3,(H,20,22)
InChIKeyMUHRHUSLXPBKMR-UHFFFAOYSA-N
XLogP3.02
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(3-methyl-2-oxo-1H-indol-3-yl)benzenesulfonamide?
The IUPAC name of N-tert-butyl-4-(3-methyl-2-oxo-1H-indol-3-yl)benzenesulfonamide (CID 178047977) is N-tert-butyl-4-(3-methyl-2-oxo-1H-indol-3-yl)benzenesulfonamide.
What is the SMILES notation for N-tert-butyl-4-(3-methyl-2-oxo-1H-indol-3-yl)benzenesulfonamide?
The canonical SMILES for N-tert-butyl-4-(3-methyl-2-oxo-1H-indol-3-yl)benzenesulfonamide is CC(C)(C)NS(=O)(=O)c1ccc(C2(C)C(=O)Nc3ccccc32)cc1.
What is the InChIKey of N-tert-butyl-4-(3-methyl-2-oxo-1H-indol-3-yl)benzenesulfonamide?
The InChIKey is MUHRHUSLXPBKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-18(2,3)21-25(23,24)14-11-9-13(10-12-14)19(4)15-7-5-6-8-16(15)20-17(19)22/h5-12,21H,1-4H3,(H,20,22).
What are the key properties of N-tert-butyl-4-(3-methyl-2-oxo-1H-indol-3-yl)benzenesulfonamide?
N-tert-butyl-4-(3-methyl-2-oxo-1H-indol-3-yl)benzenesulfonamide has a molecular weight of 358.46 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(3-methyl-2-oxo-1H-indol-3-yl)benzenesulfonamide is sourced from PubChem (CID 178047977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).