N-(3,5-dimethylphenyl)-1,3,3-trimethyl-2-oxoindole-5-sulfonamide

C19H22N2O3S — CID 22518799

IUPACN-(3,5-dimethylphenyl)-1,3,3-trimethyl-2-oxoindole-5-sulfonamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)c1
InChIInChI=1S/C19H22N2O3S/c1-12-8-13(2)10-14(9-12)20-25(23,24)15-6-7-17-16(11-15)19(3,4)18(22)21(17)5/h6-11,20H,1-5H3
InChIKeyWMQRINULWWHHLZ-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.36
Rot. Bonds3

About N-(3,5-dimethylphenyl)-1,3,3-trimethyl-2-oxoindole-5-sulfonamide

N-(3,5-dimethylphenyl)-1,3,3-trimethyl-2-oxoindole-5-sulfonamide (PubChem CID 22518799) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-1,3,3-trimethyl-2-oxoindole-5-sulfonamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-1,3,3-trimethyl-2-oxoindole-5-sulfonamide
PubChem CID22518799
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-(3,5-dimethylphenyl)-1,3,3-trimethyl-2-oxoindole-5-sulfonamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)c1
InChIInChI=1S/C19H22N2O3S/c1-12-8-13(2)10-14(9-12)20-25(23,24)15-6-7-17-16(11-15)19(3,4)18(22)21(17)5/h6-11,20H,1-5H3
InChIKeyWMQRINULWWHHLZ-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-1,3,3-trimethyl-2-oxoindole-5-sulfonamide?
The IUPAC name of N-(3,5-dimethylphenyl)-1,3,3-trimethyl-2-oxoindole-5-sulfonamide (CID 22518799) is N-(3,5-dimethylphenyl)-1,3,3-trimethyl-2-oxoindole-5-sulfonamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-1,3,3-trimethyl-2-oxoindole-5-sulfonamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-1,3,3-trimethyl-2-oxoindole-5-sulfonamide is Cc1cc(C)cc(NS(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-1,3,3-trimethyl-2-oxoindole-5-sulfonamide?
The InChIKey is WMQRINULWWHHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-12-8-13(2)10-14(9-12)20-25(23,24)15-6-7-17-16(11-15)19(3,4)18(22)21(17)5/h6-11,20H,1-5H3.
What are the key properties of N-(3,5-dimethylphenyl)-1,3,3-trimethyl-2-oxoindole-5-sulfonamide?
N-(3,5-dimethylphenyl)-1,3,3-trimethyl-2-oxoindole-5-sulfonamide has a molecular weight of 358.46 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-1,3,3-trimethyl-2-oxoindole-5-sulfonamide is sourced from PubChem (CID 22518799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).