N-[(E)-(6-methoxy-1H-indol-3-yl)methylideneamino]-4-methylbenzenesulfonamide

C17H17N3O3S — CID 135651464

IUPACN-[(E)-(6-methoxy-1H-indol-3-yl)methylideneamino]-4-methylbenzenesulfonamide
SMILESCOc1ccc2c(/C=N/NS(=O)(=O)c3ccc(C)cc3)c[nH]c2c1
InChIInChI=1S/C17H17N3O3S/c1-12-3-6-15(7-4-12)24(21,22)20-19-11-13-10-18-17-9-14(23-2)5-8-16(13)17/h3-11,18,20H,1-2H3/b19-11+
InChIKeyPEIHAQGPCWKGRI-YBFXNURJSA-N
MW343.41 g/mol
LogP2.80
Rot. Bonds5

About N-[(E)-(6-methoxy-1H-indol-3-yl)methylideneamino]-4-methylbenzenesulfonamide

N-[(E)-(6-methoxy-1H-indol-3-yl)methylideneamino]-4-methylbenzenesulfonamide (PubChem CID 135651464) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-[(E)-(6-methoxy-1H-indol-3-yl)methylideneamino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-(6-methoxy-1H-indol-3-yl)methylideneamino]-4-methylbenzenesulfonamide
PubChem CID135651464
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC NameN-[(E)-(6-methoxy-1H-indol-3-yl)methylideneamino]-4-methylbenzenesulfonamide
SMILESCOc1ccc2c(/C=N/NS(=O)(=O)c3ccc(C)cc3)c[nH]c2c1
InChIInChI=1S/C17H17N3O3S/c1-12-3-6-15(7-4-12)24(21,22)20-19-11-13-10-18-17-9-14(23-2)5-8-16(13)17/h3-11,18,20H,1-2H3/b19-11+
InChIKeyPEIHAQGPCWKGRI-YBFXNURJSA-N
XLogP2.80
TPSA83.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(6-methoxy-1H-indol-3-yl)methylideneamino]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(E)-(6-methoxy-1H-indol-3-yl)methylideneamino]-4-methylbenzenesulfonamide (CID 135651464) is N-[(E)-(6-methoxy-1H-indol-3-yl)methylideneamino]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(E)-(6-methoxy-1H-indol-3-yl)methylideneamino]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(E)-(6-methoxy-1H-indol-3-yl)methylideneamino]-4-methylbenzenesulfonamide is COc1ccc2c(/C=N/NS(=O)(=O)c3ccc(C)cc3)c[nH]c2c1.
What is the InChIKey of N-[(E)-(6-methoxy-1H-indol-3-yl)methylideneamino]-4-methylbenzenesulfonamide?
The InChIKey is PEIHAQGPCWKGRI-YBFXNURJSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-12-3-6-15(7-4-12)24(21,22)20-19-11-13-10-18-17-9-14(23-2)5-8-16(13)17/h3-11,18,20H,1-2H3/b19-11+.
What are the key properties of N-[(E)-(6-methoxy-1H-indol-3-yl)methylideneamino]-4-methylbenzenesulfonamide?
N-[(E)-(6-methoxy-1H-indol-3-yl)methylideneamino]-4-methylbenzenesulfonamide has a molecular weight of 343.41 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(6-methoxy-1H-indol-3-yl)methylideneamino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 135651464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).