N-(2-tert-butylphenyl)-1-methyl-2-oxo-3H-indole-5-sulfonamide

C19H22N2O3S — CID 113098520

IUPACN-(2-tert-butylphenyl)-1-methyl-2-oxo-3H-indole-5-sulfonamide
SMILESCN1C(=O)Cc2cc(S(=O)(=O)Nc3ccccc3C(C)(C)C)ccc21
InChIInChI=1S/C19H22N2O3S/c1-19(2,3)15-7-5-6-8-16(15)20-25(23,24)14-9-10-17-13(11-14)12-18(22)21(17)4/h5-11,20H,12H2,1-4H3
InChIKeyZOYWSKKDBWSUSS-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.30
Rot. Bonds3

About N-(2-tert-butylphenyl)-1-methyl-2-oxo-3H-indole-5-sulfonamide

N-(2-tert-butylphenyl)-1-methyl-2-oxo-3H-indole-5-sulfonamide (PubChem CID 113098520) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-1-methyl-2-oxo-3H-indole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-1-methyl-2-oxo-3H-indole-5-sulfonamide
PubChem CID113098520
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-(2-tert-butylphenyl)-1-methyl-2-oxo-3H-indole-5-sulfonamide
SMILESCN1C(=O)Cc2cc(S(=O)(=O)Nc3ccccc3C(C)(C)C)ccc21
InChIInChI=1S/C19H22N2O3S/c1-19(2,3)15-7-5-6-8-16(15)20-25(23,24)14-9-10-17-13(11-14)12-18(22)21(17)4/h5-11,20H,12H2,1-4H3
InChIKeyZOYWSKKDBWSUSS-UHFFFAOYSA-N
XLogP3.30
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-tert-butylphenyl)-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 25417077
1-methyl-2-oxo-N-(2-oxo-1H-pyridin-3-yl)-3H-indole-5-sulfonamide
CID 110727217
1-methyl-2-oxo-N-quinolin-8-yl-3H-indole-5-sulfonamide
CID 17498186
N-[2-(1,3-benzothiazol-2-yl)phenyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 24602664
1-methyl-2-oxo-N-pyrimidin-2-yl-3H-indole-5-sulfonamide
CID 110756701
N-(2-butyl-1,3-dihydroisoindol-4-yl)-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 154747510
N-[2-(4-ethoxyphenoxy)phenyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 17460804
N-(2-chlorophenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide
CID 110383218
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 112807801
N-(3-chloro-2-morpholin-4-ylphenyl)-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 24602966
N-(2,3-dihydro-1H-inden-5-yl)-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 25417411
1-methyl-2-oxo-N-(1-phenylethyl)-3H-indole-5-sulfonamide
CID 3163725

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-1-methyl-2-oxo-3H-indole-5-sulfonamide?
The IUPAC name of N-(2-tert-butylphenyl)-1-methyl-2-oxo-3H-indole-5-sulfonamide (CID 113098520) is N-(2-tert-butylphenyl)-1-methyl-2-oxo-3H-indole-5-sulfonamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-1-methyl-2-oxo-3H-indole-5-sulfonamide?
The canonical SMILES for N-(2-tert-butylphenyl)-1-methyl-2-oxo-3H-indole-5-sulfonamide is CN1C(=O)Cc2cc(S(=O)(=O)Nc3ccccc3C(C)(C)C)ccc21.
What is the InChIKey of N-(2-tert-butylphenyl)-1-methyl-2-oxo-3H-indole-5-sulfonamide?
The InChIKey is ZOYWSKKDBWSUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-19(2,3)15-7-5-6-8-16(15)20-25(23,24)14-9-10-17-13(11-14)12-18(22)21(17)4/h5-11,20H,12H2,1-4H3.
What are the key properties of N-(2-tert-butylphenyl)-1-methyl-2-oxo-3H-indole-5-sulfonamide?
N-(2-tert-butylphenyl)-1-methyl-2-oxo-3H-indole-5-sulfonamide has a molecular weight of 358.46 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-1-methyl-2-oxo-3H-indole-5-sulfonamide is sourced from PubChem (CID 113098520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).