4-(acridin-9-ylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide

C22H16N4O2S2 — CID 10550689

IUPAC4-(acridin-9-ylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nccs1)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1
InChIInChI=1S/C22H16N4O2S2/c27-30(28,26-22-23-13-14-29-22)16-11-9-15(10-12-16)24-21-17-5-1-3-7-19(17)25-20-8-4-2-6-18(20)21/h1-14H,(H,23,26)(H,24,25)
InChIKeySZLSPBAGYLLDRB-UHFFFAOYSA-N
MW432.53 g/mol
LogP5.39
Rot. Bonds5

About 4-(acridin-9-ylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-(acridin-9-ylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 10550689) has the molecular formula C22H16N4O2S2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 4-(acridin-9-ylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(acridin-9-ylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID10550689
Molecular FormulaC22H16N4O2S2
Molecular Weight432.53 g/mol
Exact Mass432.07
IUPAC Name4-(acridin-9-ylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nccs1)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1
InChIInChI=1S/C22H16N4O2S2/c27-30(28,26-22-23-13-14-29-22)16-11-9-15(10-12-16)24-21-17-5-1-3-7-19(17)25-20-8-4-2-6-18(20)21/h1-14H,(H,23,26)(H,24,25)
InChIKeySZLSPBAGYLLDRB-UHFFFAOYSA-N
XLogP5.39
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.53
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

4-[(4-phenoxyphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 43908583
4-(methanesulfonamido)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 653937
4-benzylsulfonyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 87471470
4-[[4-(4-methylphenyl)phthalazin-1-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 3142176
1-(4-morpholin-4-ylquinazolin-2-yl)-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea
CID 162651286
4-chloro-N-[4-[(2-chloroacridin-9-yl)amino]phenyl]benzenesulfonamide
CID 127036798
4-methyl-N-[4-[(2-methylacridin-9-yl)amino]phenyl]benzenesulfonamide
CID 127036796
2-(4-methylquinazolin-2-yl)sulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 4551050
4-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 6407153
4-[(5-oxo-1-phenyl-2H-pyrrol-3-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 100830502
2-(2-chlorophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide
CID 1220561
2-isoquinolin-1-yloxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 88543999

Frequently Asked Questions

What is the IUPAC name of 4-(acridin-9-ylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-(acridin-9-ylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 10550689) is 4-(acridin-9-ylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(acridin-9-ylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(acridin-9-ylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide is O=S(=O)(Nc1nccs1)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1.
What is the InChIKey of 4-(acridin-9-ylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is SZLSPBAGYLLDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O2S2/c27-30(28,26-22-23-13-14-29-22)16-11-9-15(10-12-16)24-21-17-5-1-3-7-19(17)25-20-8-4-2-6-18(20)21/h1-14H,(H,23,26)(H,24,25).
What are the key properties of 4-(acridin-9-ylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-(acridin-9-ylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 432.53 g/mol, XLogP of 5.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(acridin-9-ylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 10550689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).