N-[(5-methoxy-1,2-dimethylindol-3-yl)methylideneamino]-4-methylbenzenesulfonamide

C19H21N3O3S — CID 3388041

IUPACN-[(5-methoxy-1,2-dimethylindol-3-yl)methylideneamino]-4-methylbenzenesulfonamide
SMILESCOc1ccc2c(c1)c(C=NNS(=O)(=O)c1ccc(C)cc1)c(C)n2C
InChIInChI=1S/C19H21N3O3S/c1-13-5-8-16(9-6-13)26(23,24)21-20-12-18-14(2)22(3)19-10-7-15(25-4)11-17(18)19/h5-12,21H,1-4H3
InChIKeyUTIBTSKMFASDLI-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.12
Rot. Bonds5

About N-[(5-methoxy-1,2-dimethylindol-3-yl)methylideneamino]-4-methylbenzenesulfonamide

N-[(5-methoxy-1,2-dimethylindol-3-yl)methylideneamino]-4-methylbenzenesulfonamide (PubChem CID 3388041) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[(5-methoxy-1,2-dimethylindol-3-yl)methylideneamino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(5-methoxy-1,2-dimethylindol-3-yl)methylideneamino]-4-methylbenzenesulfonamide
PubChem CID3388041
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN-[(5-methoxy-1,2-dimethylindol-3-yl)methylideneamino]-4-methylbenzenesulfonamide
SMILESCOc1ccc2c(c1)c(C=NNS(=O)(=O)c1ccc(C)cc1)c(C)n2C
InChIInChI=1S/C19H21N3O3S/c1-13-5-8-16(9-6-13)26(23,24)21-20-12-18-14(2)22(3)19-10-7-15(25-4)11-17(18)19/h5-12,21H,1-4H3
InChIKeyUTIBTSKMFASDLI-UHFFFAOYSA-N
XLogP3.12
TPSA72.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(1-benzyl-5-methoxy-2-methylindol-3-yl)methylideneamino]-4-methylbenzenesulfonamide
CID 3550223
N-[(Z)-(5-methoxy-1H-indol-3-yl)methylideneamino]-4-methylbenzenesulfonamide
CID 136717924
2,4,6-trichloro-N-[(5-methoxy-1,2-dimethylindol-3-yl)methylideneamino]aniline
CID 3845942
N-[(5-methoxy-1,2-dimethylindol-3-yl)methylideneamino]-4-nitrobenzamide
CID 2016237
N-[(2-ethoxy-5-methoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 3991034
5-methoxy-1,2-dimethyl-3-(2-nitroethenyl)indole
CID 77469691
N-[(1,5-dimethylpyrazol-4-yl)methylideneamino]-4-methylbenzenesulfonamide
CID 831810
N-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 1369575
N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 136849979
N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-4-methoxyaniline
CID 110509075
N-[[2-(2-cyanophenyl)-5-methoxyphenyl]methylideneamino]-4-methylbenzenesulfonamide
CID 163215520
4-methoxy-N-[(Z)-thiophen-2-ylmethylideneamino]benzenesulfonamide
CID 5407738

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-1,2-dimethylindol-3-yl)methylideneamino]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(5-methoxy-1,2-dimethylindol-3-yl)methylideneamino]-4-methylbenzenesulfonamide (CID 3388041) is N-[(5-methoxy-1,2-dimethylindol-3-yl)methylideneamino]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(5-methoxy-1,2-dimethylindol-3-yl)methylideneamino]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(5-methoxy-1,2-dimethylindol-3-yl)methylideneamino]-4-methylbenzenesulfonamide is COc1ccc2c(c1)c(C=NNS(=O)(=O)c1ccc(C)cc1)c(C)n2C.
What is the InChIKey of N-[(5-methoxy-1,2-dimethylindol-3-yl)methylideneamino]-4-methylbenzenesulfonamide?
The InChIKey is UTIBTSKMFASDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-13-5-8-16(9-6-13)26(23,24)21-20-12-18-14(2)22(3)19-10-7-15(25-4)11-17(18)19/h5-12,21H,1-4H3.
What are the key properties of N-[(5-methoxy-1,2-dimethylindol-3-yl)methylideneamino]-4-methylbenzenesulfonamide?
N-[(5-methoxy-1,2-dimethylindol-3-yl)methylideneamino]-4-methylbenzenesulfonamide has a molecular weight of 371.46 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-1,2-dimethylindol-3-yl)methylideneamino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 3388041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).