4-chloro-N-[4-[(2-chloroacridin-9-yl)amino]phenyl]benzenesulfonamide

C25H17Cl2N3O2S — CID 127036798

IUPAC4-chloro-N-[4-[(2-chloroacridin-9-yl)amino]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Nc2c3ccccc3nc3ccc(Cl)cc23)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C25H17Cl2N3O2S/c26-16-5-12-20(13-6-16)33(31,32)30-19-10-8-18(9-11-19)28-25-21-3-1-2-4-23(21)29-24-14-7-17(27)15-22(24)25/h1-15,30H,(H,28,29)
InChIKeyYJGYHHRJSQPSRR-UHFFFAOYSA-N
MW494.40 g/mol
LogP7.24
Rot. Bonds5

About 4-chloro-N-[4-[(2-chloroacridin-9-yl)amino]phenyl]benzenesulfonamide

4-chloro-N-[4-[(2-chloroacridin-9-yl)amino]phenyl]benzenesulfonamide (PubChem CID 127036798) has the molecular formula C25H17Cl2N3O2S and a molecular weight of 494.40 g/mol. Its IUPAC name is 4-chloro-N-[4-[(2-chloroacridin-9-yl)amino]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[4-[(2-chloroacridin-9-yl)amino]phenyl]benzenesulfonamide
PubChem CID127036798
Molecular FormulaC25H17Cl2N3O2S
Molecular Weight494.40 g/mol
Exact Mass493.04
IUPAC Name4-chloro-N-[4-[(2-chloroacridin-9-yl)amino]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Nc2c3ccccc3nc3ccc(Cl)cc23)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C25H17Cl2N3O2S/c26-16-5-12-20(13-6-16)33(31,32)30-19-10-8-18(9-11-19)28-25-21-3-1-2-4-23(21)29-24-14-7-17(27)15-22(24)25/h1-15,30H,(H,28,29)
InChIKeyYJGYHHRJSQPSRR-UHFFFAOYSA-N
XLogP7.24
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.40
LogP ≤ 57.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-methyl-N-[4-[(2-methylacridin-9-yl)amino]phenyl]benzenesulfonamide
CID 127036796
sodium;9-chloroacridine;bis(N-(4-chlorophenyl)acridin-9-amine);hydroxide;hydrochloride
CID 160972351
4-(acridin-9-ylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 10550689
4-[(6-chloro-2-methoxyacridin-9-yl)amino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
CID 5270854
4-chloro-N-phenylbenzenesulfonamide;ethane
CID 91229233
N-[4-(benzo[b][1,10]phenanthrolin-7-ylamino)phenyl]benzenesulfonamide
CID 10050670
4-chloro-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1133668
4-chloro-N-(4-phenyldiazenylphenyl)benzenesulfonamide
CID 4289928
N-(4-chlorophenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;hydrochloride
CID 2790059
4-chloro-N-[3-(naphthalen-2-ylamino)quinoxalin-2-yl]benzenesulfonamide
CID 1050498
3-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 889559
4-chloro-N-[3-[4-(trifluoromethyl)anilino]quinoxalin-2-yl]benzenesulfonamide
CID 1389033

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[(2-chloroacridin-9-yl)amino]phenyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[4-[(2-chloroacridin-9-yl)amino]phenyl]benzenesulfonamide (CID 127036798) is 4-chloro-N-[4-[(2-chloroacridin-9-yl)amino]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[4-[(2-chloroacridin-9-yl)amino]phenyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[4-[(2-chloroacridin-9-yl)amino]phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(Nc2c3ccccc3nc3ccc(Cl)cc23)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[4-[(2-chloroacridin-9-yl)amino]phenyl]benzenesulfonamide?
The InChIKey is YJGYHHRJSQPSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17Cl2N3O2S/c26-16-5-12-20(13-6-16)33(31,32)30-19-10-8-18(9-11-19)28-25-21-3-1-2-4-23(21)29-24-14-7-17(27)15-22(24)25/h1-15,30H,(H,28,29).
What are the key properties of 4-chloro-N-[4-[(2-chloroacridin-9-yl)amino]phenyl]benzenesulfonamide?
4-chloro-N-[4-[(2-chloroacridin-9-yl)amino]phenyl]benzenesulfonamide has a molecular weight of 494.40 g/mol, XLogP of 7.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[(2-chloroacridin-9-yl)amino]phenyl]benzenesulfonamide is sourced from PubChem (CID 127036798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).