N-[(Z)-1H-indol-3-ylmethylideneamino]-3,4-dimethoxybenzenesulfonamide

C17H17N3O4S — CID 135647810

IUPACN-[(Z)-1H-indol-3-ylmethylideneamino]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N/N=C\c2c[nH]c3ccccc23)cc1OC
InChIInChI=1S/C17H17N3O4S/c1-23-16-8-7-13(9-17(16)24-2)25(21,22)20-19-11-12-10-18-15-6-4-3-5-14(12)15/h3-11,18,20H,1-2H3/b19-11-
InChIKeyVYQUVZMAYYPJOA-ODLFYWEKSA-N
MW359.41 g/mol
LogP2.50
Rot. Bonds6

About N-[(Z)-1H-indol-3-ylmethylideneamino]-3,4-dimethoxybenzenesulfonamide

N-[(Z)-1H-indol-3-ylmethylideneamino]-3,4-dimethoxybenzenesulfonamide (PubChem CID 135647810) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is N-[(Z)-1H-indol-3-ylmethylideneamino]-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-1H-indol-3-ylmethylideneamino]-3,4-dimethoxybenzenesulfonamide
PubChem CID135647810
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC NameN-[(Z)-1H-indol-3-ylmethylideneamino]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N/N=C\c2c[nH]c3ccccc23)cc1OC
InChIInChI=1S/C17H17N3O4S/c1-23-16-8-7-13(9-17(16)24-2)25(21,22)20-19-11-12-10-18-15-6-4-3-5-14(12)15/h3-11,18,20H,1-2H3/b19-11-
InChIKeyVYQUVZMAYYPJOA-ODLFYWEKSA-N
XLogP2.50
TPSA92.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 52.50
H-Bond Donors ≤ 52
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

3,4-dimethoxy-N-[(E)-(2-methoxyphenyl)methylideneamino]benzenesulfonamide
CID 110517450
N-[(E)-(2-hydroxyphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide
CID 135958003
N-[(E)-(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide
CID 110517529
N-[(E)-1H-indol-3-ylmethylideneamino]-2,4,6-trimethylbenzenesulfonamide
CID 136873473
N-[(Z)-(5-methoxy-1H-indol-3-yl)methylideneamino]-4-methylbenzenesulfonamide
CID 136717924
3,4-dimethoxy-N-[(E)-thiophen-2-ylmethylideneamino]benzenesulfonamide
CID 110517561
N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide
CID 135873358
N-[(E)-(3-fluorophenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide
CID 110517477
3,4-dimethoxy-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzenesulfonamide
CID 110517456
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide
CID 110517434
N-[2-(1H-indol-3-yl)-2-phenylethyl]-3,4-dimethoxybenzenesulfonamide
CID 43001237
3-bromo-N-(1H-indol-3-ylmethylideneamino)-4-methoxybenzamide
CID 5153685

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1H-indol-3-ylmethylideneamino]-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-[(Z)-1H-indol-3-ylmethylideneamino]-3,4-dimethoxybenzenesulfonamide (CID 135647810) is N-[(Z)-1H-indol-3-ylmethylideneamino]-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[(Z)-1H-indol-3-ylmethylideneamino]-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[(Z)-1H-indol-3-ylmethylideneamino]-3,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)N/N=C\c2c[nH]c3ccccc23)cc1OC.
What is the InChIKey of N-[(Z)-1H-indol-3-ylmethylideneamino]-3,4-dimethoxybenzenesulfonamide?
The InChIKey is VYQUVZMAYYPJOA-ODLFYWEKSA-N. The full InChI is InChI=1S/C17H17N3O4S/c1-23-16-8-7-13(9-17(16)24-2)25(21,22)20-19-11-12-10-18-15-6-4-3-5-14(12)15/h3-11,18,20H,1-2H3/b19-11-.
What are the key properties of N-[(Z)-1H-indol-3-ylmethylideneamino]-3,4-dimethoxybenzenesulfonamide?
N-[(Z)-1H-indol-3-ylmethylideneamino]-3,4-dimethoxybenzenesulfonamide has a molecular weight of 359.41 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1H-indol-3-ylmethylideneamino]-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 135647810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).