4-methoxy-2,6-dimethyl-N-[(1-methylindol-3-yl)methyl]benzenesulfonamide

C19H22N2O3S — CID 110371617

IUPAC4-methoxy-2,6-dimethyl-N-[(1-methylindol-3-yl)methyl]benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NCc2cn(C)c3ccccc23)c(C)c1
InChIInChI=1S/C19H22N2O3S/c1-13-9-16(24-4)10-14(2)19(13)25(22,23)20-11-15-12-21(3)18-8-6-5-7-17(15)18/h5-10,12,20H,11H2,1-4H3
InChIKeyKZHDMNPXMLJZID-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.28
Rot. Bonds5

About 4-methoxy-2,6-dimethyl-N-[(1-methylindol-3-yl)methyl]benzenesulfonamide

4-methoxy-2,6-dimethyl-N-[(1-methylindol-3-yl)methyl]benzenesulfonamide (PubChem CID 110371617) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 4-methoxy-2,6-dimethyl-N-[(1-methylindol-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2,6-dimethyl-N-[(1-methylindol-3-yl)methyl]benzenesulfonamide
PubChem CID110371617
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name4-methoxy-2,6-dimethyl-N-[(1-methylindol-3-yl)methyl]benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NCc2cn(C)c3ccccc23)c(C)c1
InChIInChI=1S/C19H22N2O3S/c1-13-9-16(24-4)10-14(2)19(13)25(22,23)20-11-15-12-21(3)18-8-6-5-7-17(15)18/h5-10,12,20H,11H2,1-4H3
InChIKeyKZHDMNPXMLJZID-UHFFFAOYSA-N
XLogP3.28
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-2,6-dimethyl-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]benzenesulfonamide
CID 110730456
N-[(5-methoxy-1-methylindol-3-yl)methyl]-2,4-dimethylbenzenesulfonamide
CID 110371530
4-methoxy-2,6-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 61021674
N-[(5-methoxy-1-methylindol-3-yl)methyl]-5-methylthiophene-2-sulfonamide
CID 110371546
2,4-dimethoxy-N-[2-(1-methylindol-3-yl)ethyl]benzenesulfonamide
CID 113083949
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 90490899
N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 97414088
N-[(5-methoxy-1-methylindol-3-yl)methyl]-4-propan-2-yloxybenzenesulfonamide
CID 110371567
3,4-dimethyl-N-[2-(1-methylindol-3-yl)ethyl]benzenesulfonamide
CID 113083935
N-ethoxy-1-(1-methylindol-3-yl)methanamine
CID 107236064
N-[(4-methoxyphenyl)methyl]-2,4,6-trimethylbenzenesulfonamide
CID 668979
2,4-dimethyl-N-[(1-methylindol-3-yl)methyl]aniline
CID 107234529

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,6-dimethyl-N-[(1-methylindol-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-2,6-dimethyl-N-[(1-methylindol-3-yl)methyl]benzenesulfonamide (CID 110371617) is 4-methoxy-2,6-dimethyl-N-[(1-methylindol-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2,6-dimethyl-N-[(1-methylindol-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-2,6-dimethyl-N-[(1-methylindol-3-yl)methyl]benzenesulfonamide is COc1cc(C)c(S(=O)(=O)NCc2cn(C)c3ccccc23)c(C)c1.
What is the InChIKey of 4-methoxy-2,6-dimethyl-N-[(1-methylindol-3-yl)methyl]benzenesulfonamide?
The InChIKey is KZHDMNPXMLJZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-13-9-16(24-4)10-14(2)19(13)25(22,23)20-11-15-12-21(3)18-8-6-5-7-17(15)18/h5-10,12,20H,11H2,1-4H3.
What are the key properties of 4-methoxy-2,6-dimethyl-N-[(1-methylindol-3-yl)methyl]benzenesulfonamide?
4-methoxy-2,6-dimethyl-N-[(1-methylindol-3-yl)methyl]benzenesulfonamide has a molecular weight of 358.46 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,6-dimethyl-N-[(1-methylindol-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110371617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).