N-[(1-benzylindol-3-yl)methylideneamino]-4-methylbenzenesulfonamide

C23H21N3O2S — CID 3641081

IUPACN-[(1-benzylindol-3-yl)methylideneamino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NN=Cc2cn(Cc3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C23H21N3O2S/c1-18-11-13-21(14-12-18)29(27,28)25-24-15-20-17-26(16-19-7-3-2-4-8-19)23-10-6-5-9-22(20)23/h2-15,17,25H,16H2,1H3
InChIKeyLBKDMGRHMLNRKV-UHFFFAOYSA-N
MW403.51 g/mol
LogP4.31
Rot. Bonds6

About N-[(1-benzylindol-3-yl)methylideneamino]-4-methylbenzenesulfonamide

N-[(1-benzylindol-3-yl)methylideneamino]-4-methylbenzenesulfonamide (PubChem CID 3641081) has the molecular formula C23H21N3O2S and a molecular weight of 403.51 g/mol. Its IUPAC name is N-[(1-benzylindol-3-yl)methylideneamino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1-benzylindol-3-yl)methylideneamino]-4-methylbenzenesulfonamide
PubChem CID3641081
Molecular FormulaC23H21N3O2S
Molecular Weight403.51 g/mol
Exact Mass403.14
IUPAC NameN-[(1-benzylindol-3-yl)methylideneamino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NN=Cc2cn(Cc3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C23H21N3O2S/c1-18-11-13-21(14-12-18)29(27,28)25-24-15-20-17-26(16-19-7-3-2-4-8-19)23-10-6-5-9-22(20)23/h2-15,17,25H,16H2,1H3
InChIKeyLBKDMGRHMLNRKV-UHFFFAOYSA-N
XLogP4.31
TPSA63.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 54.31
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'}

Analyze N-[(1-benzylindol-3-yl)methylideneamino]-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-benzylindol-3-yl)methylideneamino]-4-(2-methylpropyl)benzenesulfonamide
CID 4508949
N-(4-chlorophenyl)-2-[3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]indol-1-yl]acetamide
CID 73346537
N-[(E)-(1-methylindol-3-yl)methylideneamino]benzenesulfonamide
CID 23476860
[(E)-[1-[(4-methylphenyl)methyl]indol-3-yl]methylideneamino]thiourea
CID 21214503
N-[(2-benzylphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 175789104
N-[(E)-(1-benzylindol-3-yl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133143816
2-[3-[(Z)-[(4-butylphenyl)sulfonylhydrazinylidene]methyl]indol-1-yl]acetamide
CID 22775976
N-[(1R)-1-(1-benzylindol-3-yl)-1-phenylethyl]-4-methylbenzenesulfonamide
CID 139148652
3-methyl-N-[(Z)-[1-[(4-methylphenyl)methyl]indol-3-yl]methylideneamino]benzamide
CID 126274795
4-bromo-N-[(E)-(1-methylindol-3-yl)methylideneamino]benzenesulfonamide
CID 110516037
N-[[1-[(4-methylphenyl)methyl]indol-3-yl]methylideneamino]-5-nitropyridin-2-amine
CID 3729141
N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 126150640

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylindol-3-yl)methylideneamino]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(1-benzylindol-3-yl)methylideneamino]-4-methylbenzenesulfonamide (CID 3641081) is N-[(1-benzylindol-3-yl)methylideneamino]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(1-benzylindol-3-yl)methylideneamino]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(1-benzylindol-3-yl)methylideneamino]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NN=Cc2cn(Cc3ccccc3)c3ccccc23)cc1.
What is the InChIKey of N-[(1-benzylindol-3-yl)methylideneamino]-4-methylbenzenesulfonamide?
The InChIKey is LBKDMGRHMLNRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2S/c1-18-11-13-21(14-12-18)29(27,28)25-24-15-20-17-26(16-19-7-3-2-4-8-19)23-10-6-5-9-22(20)23/h2-15,17,25H,16H2,1H3.
What are the key properties of N-[(1-benzylindol-3-yl)methylideneamino]-4-methylbenzenesulfonamide?
N-[(1-benzylindol-3-yl)methylideneamino]-4-methylbenzenesulfonamide has a molecular weight of 403.51 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylindol-3-yl)methylideneamino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 3641081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).