N-[(5-methoxy-1-methylindol-3-yl)methyl]-2,4-dimethylbenzenesulfonamide

C19H22N2O3S — CID 110371530

IUPACN-[(5-methoxy-1-methylindol-3-yl)methyl]-2,4-dimethylbenzenesulfonamide
SMILESCOc1ccc2c(c1)c(CNS(=O)(=O)c1ccc(C)cc1C)cn2C
InChIInChI=1S/C19H22N2O3S/c1-13-5-8-19(14(2)9-13)25(22,23)20-11-15-12-21(3)18-7-6-16(24-4)10-17(15)18/h5-10,12,20H,11H2,1-4H3
InChIKeyLTYIYNUOIKZBDL-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.28
Rot. Bonds5

About N-[(5-methoxy-1-methylindol-3-yl)methyl]-2,4-dimethylbenzenesulfonamide

N-[(5-methoxy-1-methylindol-3-yl)methyl]-2,4-dimethylbenzenesulfonamide (PubChem CID 110371530) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-[(5-methoxy-1-methylindol-3-yl)methyl]-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(5-methoxy-1-methylindol-3-yl)methyl]-2,4-dimethylbenzenesulfonamide
PubChem CID110371530
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-[(5-methoxy-1-methylindol-3-yl)methyl]-2,4-dimethylbenzenesulfonamide
SMILESCOc1ccc2c(c1)c(CNS(=O)(=O)c1ccc(C)cc1C)cn2C
InChIInChI=1S/C19H22N2O3S/c1-13-5-8-19(14(2)9-13)25(22,23)20-11-15-12-21(3)18-7-6-16(24-4)10-17(15)18/h5-10,12,20H,11H2,1-4H3
InChIKeyLTYIYNUOIKZBDL-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

N-[(5-methoxy-1-methylindol-3-yl)methyl]-5-methylthiophene-2-sulfonamide
CID 110371546
N-[(5-methoxy-1-methylindol-3-yl)methyl]-4-propan-2-yloxybenzenesulfonamide
CID 110371567
4-methoxy-2-methyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzenesulfonamide
CID 110642092
4-methoxy-2,6-dimethyl-N-[(1-methylindol-3-yl)methyl]benzenesulfonamide
CID 110371617
N-[5-[(5-methoxy-1-methylindol-3-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110371573
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-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylbenzenesulfonamide
CID 94639909
2,4-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide
CID 9190953
2-(4-ethoxyphenyl)-N-[(5-methoxy-1-methylindol-3-yl)methyl]acetamide
CID 110371484
4-methoxy-2-methyl-N-[(3-methyl-1,2-oxazol-4-yl)methyl]benzenesulfonamide
CID 126821555
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2,4-dimethylbenzenesulfonamide
CID 90535155

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-1-methylindol-3-yl)methyl]-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[(5-methoxy-1-methylindol-3-yl)methyl]-2,4-dimethylbenzenesulfonamide (CID 110371530) is N-[(5-methoxy-1-methylindol-3-yl)methyl]-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(5-methoxy-1-methylindol-3-yl)methyl]-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(5-methoxy-1-methylindol-3-yl)methyl]-2,4-dimethylbenzenesulfonamide is COc1ccc2c(c1)c(CNS(=O)(=O)c1ccc(C)cc1C)cn2C.
What is the InChIKey of N-[(5-methoxy-1-methylindol-3-yl)methyl]-2,4-dimethylbenzenesulfonamide?
The InChIKey is LTYIYNUOIKZBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-13-5-8-19(14(2)9-13)25(22,23)20-11-15-12-21(3)18-7-6-16(24-4)10-17(15)18/h5-10,12,20H,11H2,1-4H3.
What are the key properties of N-[(5-methoxy-1-methylindol-3-yl)methyl]-2,4-dimethylbenzenesulfonamide?
N-[(5-methoxy-1-methylindol-3-yl)methyl]-2,4-dimethylbenzenesulfonamide 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 N-[(5-methoxy-1-methylindol-3-yl)methyl]-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 110371530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).