4-(benzenesulfonamido)-N-(1H-indol-3-ylmethylideneamino)benzamide

C22H18N4O3S — CID 3484834

IUPAC4-(benzenesulfonamido)-N-(1H-indol-3-ylmethylideneamino)benzamide
SMILESO=C(NN=Cc1c[nH]c2ccccc12)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H18N4O3S/c27-22(25-24-15-17-14-23-21-9-5-4-8-20(17)21)16-10-12-18(13-11-16)26-30(28,29)19-6-2-1-3-7-19/h1-15,23,26H,(H,25,27)
InChIKeyJWARWQXOPFOWDW-UHFFFAOYSA-N
MW418.48 g/mol
LogP3.73
Rot. Bonds6

About 4-(benzenesulfonamido)-N-(1H-indol-3-ylmethylideneamino)benzamide

4-(benzenesulfonamido)-N-(1H-indol-3-ylmethylideneamino)benzamide (PubChem CID 3484834) has the molecular formula C22H18N4O3S and a molecular weight of 418.48 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-N-(1H-indol-3-ylmethylideneamino)benzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-N-(1H-indol-3-ylmethylideneamino)benzamide
PubChem CID3484834
Molecular FormulaC22H18N4O3S
Molecular Weight418.48 g/mol
Exact Mass418.11
IUPAC Name4-(benzenesulfonamido)-N-(1H-indol-3-ylmethylideneamino)benzamide
SMILESO=C(NN=Cc1c[nH]c2ccccc12)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H18N4O3S/c27-22(25-24-15-17-14-23-21-9-5-4-8-20(17)21)16-10-12-18(13-11-16)26-30(28,29)19-6-2-1-3-7-19/h1-15,23,26H,(H,25,27)
InChIKeyJWARWQXOPFOWDW-UHFFFAOYSA-N
XLogP3.73
TPSA103.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 53.73
H-Bond Donors ≤ 53
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 4-(benzenesulfonamido)-N-(1H-indol-3-ylmethylideneamino)benzamide 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-(1H-indol-3-ylmethylideneamino)benzamide
CID 678357
4-amino-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
CID 136851986
4-(benzenesulfonamido)-N-[(Z)-(2-chlorophenyl)methylideneamino]benzamide
CID 6114827
4-(benzenesulfonamido)-N-[(Z)-(2-bromophenyl)methylideneamino]benzamide
CID 6076061
N-(1H-indol-3-ylmethylideneamino)pyridine-4-carboxamide
CID 5488
N-[(E)-1H-indol-3-ylmethylideneamino]-4-pyrrolidin-1-ylbenzamide
CID 135818917
N-[(Z)-1H-indol-3-ylmethylideneamino]-1-oxidopyridin-1-ium-4-carboxamide
CID 137189888
4-(benzenesulfonamido)-N-[(2,3-dichlorophenyl)methylideneamino]benzamide
CID 4119667
2-benzamido-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide
CID 135479703
4-(benzenesulfonamido)-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
CID 136867354
N-[(E)-1H-indol-3-ylmethylideneamino]-4-(pentanoylamino)benzamide
CID 135678489
4-(2-anilino-2-oxoethoxy)-N-(1H-indol-3-ylmethylideneamino)benzamide
CID 3694322

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-N-(1H-indol-3-ylmethylideneamino)benzamide?
The IUPAC name of 4-(benzenesulfonamido)-N-(1H-indol-3-ylmethylideneamino)benzamide (CID 3484834) is 4-(benzenesulfonamido)-N-(1H-indol-3-ylmethylideneamino)benzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-N-(1H-indol-3-ylmethylideneamino)benzamide?
The canonical SMILES for 4-(benzenesulfonamido)-N-(1H-indol-3-ylmethylideneamino)benzamide is O=C(NN=Cc1c[nH]c2ccccc12)c1ccc(NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-(benzenesulfonamido)-N-(1H-indol-3-ylmethylideneamino)benzamide?
The InChIKey is JWARWQXOPFOWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3S/c27-22(25-24-15-17-14-23-21-9-5-4-8-20(17)21)16-10-12-18(13-11-16)26-30(28,29)19-6-2-1-3-7-19/h1-15,23,26H,(H,25,27).
What are the key properties of 4-(benzenesulfonamido)-N-(1H-indol-3-ylmethylideneamino)benzamide?
4-(benzenesulfonamido)-N-(1H-indol-3-ylmethylideneamino)benzamide has a molecular weight of 418.48 g/mol, XLogP of 3.73, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-N-(1H-indol-3-ylmethylideneamino)benzamide is sourced from PubChem (CID 3484834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).