4-methyl-N-[(Z)-1-(1-methylindol-2-yl)ethylideneamino]benzenesulfonamide

C18H19N3O2S — CID 5467026

IUPAC4-methyl-N-[(Z)-1-(1-methylindol-2-yl)ethylideneamino]benzenesulfonamide
SMILESC/C(=N/NS(=O)(=O)c1ccc(C)cc1)c1cc2ccccc2n1C
InChIInChI=1S/C18H19N3O2S/c1-13-8-10-16(11-9-13)24(22,23)20-19-14(2)18-12-15-6-4-5-7-17(15)21(18)3/h4-12,20H,1-3H3/b19-14-
InChIKeyHQWMFBYFDMCEDT-RGEXLXHISA-N
MW341.44 g/mol
LogP3.19
Rot. Bonds4

About 4-methyl-N-[(Z)-1-(1-methylindol-2-yl)ethylideneamino]benzenesulfonamide

4-methyl-N-[(Z)-1-(1-methylindol-2-yl)ethylideneamino]benzenesulfonamide (PubChem CID 5467026) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 4-methyl-N-[(Z)-1-(1-methylindol-2-yl)ethylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(Z)-1-(1-methylindol-2-yl)ethylideneamino]benzenesulfonamide
PubChem CID5467026
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name4-methyl-N-[(Z)-1-(1-methylindol-2-yl)ethylideneamino]benzenesulfonamide
SMILESC/C(=N/NS(=O)(=O)c1ccc(C)cc1)c1cc2ccccc2n1C
InChIInChI=1S/C18H19N3O2S/c1-13-8-10-16(11-9-13)24(22,23)20-19-14(2)18-12-15-6-4-5-7-17(15)21(18)3/h4-12,20H,1-3H3/b19-14-
InChIKeyHQWMFBYFDMCEDT-RGEXLXHISA-N
XLogP3.19
TPSA63.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
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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Related Compounds

4-methyl-N-[(Z)-1-phenylethylideneamino]benzenesulfonamide
CID 6287802
4-methyl-N-[(1-methylindol-2-yl)methyl]benzenesulfonamide
CID 102141754
4-methyl-N-[1-(2-methylphenyl)ethylideneamino]benzenesulfonamide
CID 141470988
N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]-4-methylbenzenesulfonamide
CID 9073289
N-[1-(2-aminophenyl)ethylideneamino]-4-methylbenzenesulfonamide
CID 78093079
N-[(Z)-1-(2-bromophenyl)ethylideneamino]-4-methylbenzenesulfonamide
CID 72792791
4-methyl-N-[[1-[(4-methylphenyl)sulfonylhydrazinylidene]-1-phenylpropan-2-ylidene]amino]benzenesulfonamide
CID 6817467
N-[1-(2-amino-5-naphthalen-1-ylphenyl)ethylideneamino]-4-methylbenzenesulfonamide
CID 151981962
N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-4-methylbenzenesulfonamide
CID 9073564
N-[4-[C-methyl-N-[(4-methylphenyl)sulfonylamino]carbonimidoyl]phenyl]acetamide
CID 881463
N-[(E)-1-(benzenesulfonyl)propan-2-ylideneamino]-4-methylbenzenesulfonamide
CID 137357878
N-[(E)-[(1E)-1-hydroxyimino-1-phenylpropan-2-ylidene]amino]-4-methylbenzenesulfonamide
CID 135666045

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(Z)-1-(1-methylindol-2-yl)ethylideneamino]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(Z)-1-(1-methylindol-2-yl)ethylideneamino]benzenesulfonamide (CID 5467026) is 4-methyl-N-[(Z)-1-(1-methylindol-2-yl)ethylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(Z)-1-(1-methylindol-2-yl)ethylideneamino]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(Z)-1-(1-methylindol-2-yl)ethylideneamino]benzenesulfonamide is C/C(=N/NS(=O)(=O)c1ccc(C)cc1)c1cc2ccccc2n1C.
What is the InChIKey of 4-methyl-N-[(Z)-1-(1-methylindol-2-yl)ethylideneamino]benzenesulfonamide?
The InChIKey is HQWMFBYFDMCEDT-RGEXLXHISA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-13-8-10-16(11-9-13)24(22,23)20-19-14(2)18-12-15-6-4-5-7-17(15)21(18)3/h4-12,20H,1-3H3/b19-14-.
What are the key properties of 4-methyl-N-[(Z)-1-(1-methylindol-2-yl)ethylideneamino]benzenesulfonamide?
4-methyl-N-[(Z)-1-(1-methylindol-2-yl)ethylideneamino]benzenesulfonamide has a molecular weight of 341.44 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(Z)-1-(1-methylindol-2-yl)ethylideneamino]benzenesulfonamide is sourced from PubChem (CID 5467026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).