N-(5-methoxy-1-methyl-3H-indol-2-ylidene)-4-methylbenzenesulfonamide

C17H18N2O3S — CID 156768059

IUPACN-(5-methoxy-1-methyl-3H-indol-2-ylidene)-4-methylbenzenesulfonamide
SMILESCOc1ccc2c(c1)CC(=NS(=O)(=O)c1ccc(C)cc1)N2C
InChIInChI=1S/C17H18N2O3S/c1-12-4-7-15(8-5-12)23(20,21)18-17-11-13-10-14(22-3)6-9-16(13)19(17)2/h4-10H,11H2,1-3H3
InChIKeyYBEVHVRFOAJPNY-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.78
Rot. Bonds3

About N-(5-methoxy-1-methyl-3H-indol-2-ylidene)-4-methylbenzenesulfonamide

N-(5-methoxy-1-methyl-3H-indol-2-ylidene)-4-methylbenzenesulfonamide (PubChem CID 156768059) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-(5-methoxy-1-methyl-3H-indol-2-ylidene)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-methoxy-1-methyl-3H-indol-2-ylidene)-4-methylbenzenesulfonamide
PubChem CID156768059
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN-(5-methoxy-1-methyl-3H-indol-2-ylidene)-4-methylbenzenesulfonamide
SMILESCOc1ccc2c(c1)CC(=NS(=O)(=O)c1ccc(C)cc1)N2C
InChIInChI=1S/C17H18N2O3S/c1-12-4-7-15(8-5-12)23(20,21)18-17-11-13-10-14(22-3)6-9-16(13)19(17)2/h4-10H,11H2,1-3H3
InChIKeyYBEVHVRFOAJPNY-UHFFFAOYSA-N
XLogP2.78
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-1-methyl-3H-indol-2-ylidene)-4-methylbenzenesulfonamide?
The IUPAC name of N-(5-methoxy-1-methyl-3H-indol-2-ylidene)-4-methylbenzenesulfonamide (CID 156768059) is N-(5-methoxy-1-methyl-3H-indol-2-ylidene)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(5-methoxy-1-methyl-3H-indol-2-ylidene)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(5-methoxy-1-methyl-3H-indol-2-ylidene)-4-methylbenzenesulfonamide is COc1ccc2c(c1)CC(=NS(=O)(=O)c1ccc(C)cc1)N2C.
What is the InChIKey of N-(5-methoxy-1-methyl-3H-indol-2-ylidene)-4-methylbenzenesulfonamide?
The InChIKey is YBEVHVRFOAJPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-12-4-7-15(8-5-12)23(20,21)18-17-11-13-10-14(22-3)6-9-16(13)19(17)2/h4-10H,11H2,1-3H3.
What are the key properties of N-(5-methoxy-1-methyl-3H-indol-2-ylidene)-4-methylbenzenesulfonamide?
N-(5-methoxy-1-methyl-3H-indol-2-ylidene)-4-methylbenzenesulfonamide has a molecular weight of 330.41 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-1-methyl-3H-indol-2-ylidene)-4-methylbenzenesulfonamide is sourced from PubChem (CID 156768059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).