1,3,3-trimethyl-N-[(4-methylphenyl)methyl]-2-oxoindole-5-sulfonamide

C19H22N2O3S — CID 22518774

IUPAC1,3,3-trimethyl-N-[(4-methylphenyl)methyl]-2-oxoindole-5-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)cc1
InChIInChI=1S/C19H22N2O3S/c1-13-5-7-14(8-6-13)12-20-25(23,24)15-9-10-17-16(11-15)19(2,3)18(22)21(17)4/h5-11,20H,12H2,1-4H3
InChIKeyKOVZXBDJACODCG-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.73
Rot. Bonds4

About 1,3,3-trimethyl-N-[(4-methylphenyl)methyl]-2-oxoindole-5-sulfonamide

1,3,3-trimethyl-N-[(4-methylphenyl)methyl]-2-oxoindole-5-sulfonamide (PubChem CID 22518774) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 1,3,3-trimethyl-N-[(4-methylphenyl)methyl]-2-oxoindole-5-sulfonamide.

Molecular Properties

Compound Name1,3,3-trimethyl-N-[(4-methylphenyl)methyl]-2-oxoindole-5-sulfonamide
PubChem CID22518774
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name1,3,3-trimethyl-N-[(4-methylphenyl)methyl]-2-oxoindole-5-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)cc1
InChIInChI=1S/C19H22N2O3S/c1-13-5-7-14(8-6-13)12-20-25(23,24)15-9-10-17-16(11-15)19(2,3)18(22)21(17)4/h5-11,20H,12H2,1-4H3
InChIKeyKOVZXBDJACODCG-UHFFFAOYSA-N
XLogP2.73
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-2-oxo-N-(2-phenylethyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 1511494
1-Methyl-5-{[(phenylethyl)amino]sulfonyl}indolin-2-one
CID 3163725
N-(2-methylphenyl)-1-propionylindoline-5-sulfonamide
CID 3652315
N-[(4-fluorophenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9266705
5-(3,5-Dimethyl-piperidine-1-sulfonyl)-1,3-dihydro-indol-2-one
CID 16307044
2-(1,2-Dihydro-2-oxo-1-(phenylmethyl)-5-(1-piperidinylsulfonyl)-3H-indol-3-ylidene)propanedinitrile
CID 42618278
2-[5-(Azetidin-1-ylsulfonyl)-1-benzyl-2-oxoindol-3-ylidene]propanedinitrile
CID 42618288
2-(1-Benzyl-2-oxo-5-pyrrolidin-1-ylsulfonylindol-3-ylidene)propanedinitrile
CID 42618291
N,1-diethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
CID 15944463
N-[2-(dimethylamino)ethyl]-4-({[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}amino)benzene-1-sulfonamide
CID 91895650
1-acetyl-N-(4-methylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 2986661
1-{5-[(2-methylpiperidin-1-yl)sulfonyl]-2,3-dihydro-1H-indol-1-yl}ethan-1-one
CID 3597234

Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-N-[(4-methylphenyl)methyl]-2-oxoindole-5-sulfonamide?
The IUPAC name of 1,3,3-trimethyl-N-[(4-methylphenyl)methyl]-2-oxoindole-5-sulfonamide (CID 22518774) is 1,3,3-trimethyl-N-[(4-methylphenyl)methyl]-2-oxoindole-5-sulfonamide.
What is the SMILES notation for 1,3,3-trimethyl-N-[(4-methylphenyl)methyl]-2-oxoindole-5-sulfonamide?
The canonical SMILES for 1,3,3-trimethyl-N-[(4-methylphenyl)methyl]-2-oxoindole-5-sulfonamide is Cc1ccc(CNS(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)cc1.
What is the InChIKey of 1,3,3-trimethyl-N-[(4-methylphenyl)methyl]-2-oxoindole-5-sulfonamide?
The InChIKey is KOVZXBDJACODCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-13-5-7-14(8-6-13)12-20-25(23,24)15-9-10-17-16(11-15)19(2,3)18(22)21(17)4/h5-11,20H,12H2,1-4H3.
What are the key properties of 1,3,3-trimethyl-N-[(4-methylphenyl)methyl]-2-oxoindole-5-sulfonamide?
1,3,3-trimethyl-N-[(4-methylphenyl)methyl]-2-oxoindole-5-sulfonamide has a molecular weight of 358.46 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-N-[(4-methylphenyl)methyl]-2-oxoindole-5-sulfonamide is sourced from PubChem (CID 22518774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).