N-[(10-methylacridin-9-ylidene)amino]benzenesulfonamide

C20H17N3O2S — CID 4639646

IUPACN-[(10-methylacridin-9-ylidene)amino]benzenesulfonamide
SMILESCn1c2ccccc2c(=NNS(=O)(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C20H17N3O2S/c1-23-18-13-7-5-11-16(18)20(17-12-6-8-14-19(17)23)21-22-26(24,25)15-9-3-2-4-10-15/h2-14,22H,1H3
InChIKeyGIQYLPURMBGJEU-UHFFFAOYSA-N
MW363.44 g/mol
LogP3.13
Rot. Bonds3

About N-[(10-methylacridin-9-ylidene)amino]benzenesulfonamide

N-[(10-methylacridin-9-ylidene)amino]benzenesulfonamide (PubChem CID 4639646) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-[(10-methylacridin-9-ylidene)amino]benzenesulfonamide.

Molecular Properties

Compound NameN-[(10-methylacridin-9-ylidene)amino]benzenesulfonamide
PubChem CID4639646
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC NameN-[(10-methylacridin-9-ylidene)amino]benzenesulfonamide
SMILESCn1c2ccccc2c(=NNS(=O)(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C20H17N3O2S/c1-23-18-13-7-5-11-16(18)20(17-12-6-8-14-19(17)23)21-22-26(24,25)15-9-3-2-4-10-15/h2-14,22H,1H3
InChIKeyGIQYLPURMBGJEU-UHFFFAOYSA-N
XLogP3.13
TPSA63.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(1-methylindol-3-yl)methylideneamino]benzenesulfonamide
CID 23476860
N-[[4-(benzenesulfonylhydrazinylidene)cyclohexylidene]amino]benzenesulfonamide
CID 171981444
N-nitrosobenzenesulfonamide
CID 57254362
2-[4-[[(2-ethyl-1-methylquinolin-4-ylidene)amino]sulfamoyl]phenyl]benzoic acid
CID 67839477
ethane;bis(9-methylcarbazole)
CID 159710949
2-amino-3-(benzenesulfonyl)-1-methylquinolin-4-one
CID 12554174
N-(cyclooctylideneamino)benzenesulfonamide
CID 881753
ethane;9-methylcarbazole;triphenylene
CID 142356751
N-[(1,2-diphenylindol-3-yl)methylideneamino]benzenesulfonamide
CID 3485439
4-acetyl-N-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzenesulfonamide
CID 2369369
phenyl 9-methylcarbazole-3-sulfonate
CID 134956453
8-methyl-8-azapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaen-21-one
CID 167125984

Frequently Asked Questions

What is the IUPAC name of N-[(10-methylacridin-9-ylidene)amino]benzenesulfonamide?
The IUPAC name of N-[(10-methylacridin-9-ylidene)amino]benzenesulfonamide (CID 4639646) is N-[(10-methylacridin-9-ylidene)amino]benzenesulfonamide.
What is the SMILES notation for N-[(10-methylacridin-9-ylidene)amino]benzenesulfonamide?
The canonical SMILES for N-[(10-methylacridin-9-ylidene)amino]benzenesulfonamide is Cn1c2ccccc2c(=NNS(=O)(=O)c2ccccc2)c2ccccc21.
What is the InChIKey of N-[(10-methylacridin-9-ylidene)amino]benzenesulfonamide?
The InChIKey is GIQYLPURMBGJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c1-23-18-13-7-5-11-16(18)20(17-12-6-8-14-19(17)23)21-22-26(24,25)15-9-3-2-4-10-15/h2-14,22H,1H3.
What are the key properties of N-[(10-methylacridin-9-ylidene)amino]benzenesulfonamide?
N-[(10-methylacridin-9-ylidene)amino]benzenesulfonamide has a molecular weight of 363.44 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(10-methylacridin-9-ylidene)amino]benzenesulfonamide is sourced from PubChem (CID 4639646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).