N-[(E)-(1-methylindol-3-yl)methylideneamino]benzenesulfonamide

C16H15N3O2S — CID 23476860

IUPACN-[(E)-(1-methylindol-3-yl)methylideneamino]benzenesulfonamide
SMILESCn1cc(/C=N/NS(=O)(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C16H15N3O2S/c1-19-12-13(15-9-5-6-10-16(15)19)11-17-18-22(20,21)14-7-3-2-4-8-14/h2-12,18H,1H3/b17-11+
InChIKeyOQFDPJQBVUTDDO-GZTJUZNOSA-N
MW313.38 g/mol
LogP2.49
Rot. Bonds4

About N-[(E)-(1-methylindol-3-yl)methylideneamino]benzenesulfonamide

N-[(E)-(1-methylindol-3-yl)methylideneamino]benzenesulfonamide (PubChem CID 23476860) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-[(E)-(1-methylindol-3-yl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-(1-methylindol-3-yl)methylideneamino]benzenesulfonamide
PubChem CID23476860
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC NameN-[(E)-(1-methylindol-3-yl)methylideneamino]benzenesulfonamide
SMILESCn1cc(/C=N/NS(=O)(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C16H15N3O2S/c1-19-12-13(15-9-5-6-10-16(15)19)11-17-18-22(20,21)14-7-3-2-4-8-14/h2-12,18H,1H3/b17-11+
InChIKeyOQFDPJQBVUTDDO-GZTJUZNOSA-N
XLogP2.49
TPSA63.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.49
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-bromo-N-[(E)-(1-methylindol-3-yl)methylideneamino]benzenesulfonamide
CID 110516037
N-[(1-benzylindol-3-yl)methylideneamino]-4-methylbenzenesulfonamide
CID 3641081
[(Z)-(1-methylindol-3-yl)methylideneamino]urea
CID 5407269
N-[(1-benzylindol-3-yl)methylideneamino]-4-(2-methylpropyl)benzenesulfonamide
CID 4508949
N-[(1,2-diphenylindol-3-yl)methylideneamino]benzenesulfonamide
CID 3485439
N-[(E)-(2-fluorophenyl)methylideneamino]benzenesulfonamide
CID 6894293
2-(4-hydroxyphenyl)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide
CID 110515655
1-(2,6-dichlorophenyl)-N-[(E)-(1-methylindol-3-yl)methylideneamino]methanamine
CID 19060080
2-chloro-N-[(E)-(1-methylindol-3-yl)methylideneamino]benzamide
CID 23476934
2-[3-[(Z)-[(4-butylphenyl)sulfonylhydrazinylidene]methyl]indol-1-yl]acetamide
CID 22775976
N-[(10-methylacridin-9-ylidene)amino]benzenesulfonamide
CID 4639646
N-[(E)-(1-methylindol-3-yl)methylideneamino]-1H-indole-3-carboxamide
CID 6878706

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(1-methylindol-3-yl)methylideneamino]benzenesulfonamide?
The IUPAC name of N-[(E)-(1-methylindol-3-yl)methylideneamino]benzenesulfonamide (CID 23476860) is N-[(E)-(1-methylindol-3-yl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for N-[(E)-(1-methylindol-3-yl)methylideneamino]benzenesulfonamide?
The canonical SMILES for N-[(E)-(1-methylindol-3-yl)methylideneamino]benzenesulfonamide is Cn1cc(/C=N/NS(=O)(=O)c2ccccc2)c2ccccc21.
What is the InChIKey of N-[(E)-(1-methylindol-3-yl)methylideneamino]benzenesulfonamide?
The InChIKey is OQFDPJQBVUTDDO-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-19-12-13(15-9-5-6-10-16(15)19)11-17-18-22(20,21)14-7-3-2-4-8-14/h2-12,18H,1H3/b17-11+.
What are the key properties of N-[(E)-(1-methylindol-3-yl)methylideneamino]benzenesulfonamide?
N-[(E)-(1-methylindol-3-yl)methylideneamino]benzenesulfonamide has a molecular weight of 313.38 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(1-methylindol-3-yl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 23476860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).