4-methyl-N-[4-[(2-methylacridin-9-yl)amino]phenyl]benzenesulfonamide

C27H23N3O2S — CID 127036796

IUPAC4-methyl-N-[4-[(2-methylacridin-9-yl)amino]phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Nc3c4ccccc4nc4ccc(C)cc34)cc2)cc1
InChIInChI=1S/C27H23N3O2S/c1-18-7-14-22(15-8-18)33(31,32)30-21-12-10-20(11-13-21)28-27-23-5-3-4-6-25(23)29-26-16-9-19(2)17-24(26)27/h3-17,30H,1-2H3,(H,28,29)
InChIKeyHSUFAVMAYZXGBV-UHFFFAOYSA-N
MW453.57 g/mol
LogP6.55
Rot. Bonds5

About 4-methyl-N-[4-[(2-methylacridin-9-yl)amino]phenyl]benzenesulfonamide

4-methyl-N-[4-[(2-methylacridin-9-yl)amino]phenyl]benzenesulfonamide (PubChem CID 127036796) has the molecular formula C27H23N3O2S and a molecular weight of 453.57 g/mol. Its IUPAC name is 4-methyl-N-[4-[(2-methylacridin-9-yl)amino]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[4-[(2-methylacridin-9-yl)amino]phenyl]benzenesulfonamide
PubChem CID127036796
Molecular FormulaC27H23N3O2S
Molecular Weight453.57 g/mol
Exact Mass453.15
IUPAC Name4-methyl-N-[4-[(2-methylacridin-9-yl)amino]phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Nc3c4ccccc4nc4ccc(C)cc34)cc2)cc1
InChIInChI=1S/C27H23N3O2S/c1-18-7-14-22(15-8-18)33(31,32)30-21-12-10-20(11-13-21)28-27-23-5-3-4-6-25(23)29-26-16-9-19(2)17-24(26)27/h3-17,30H,1-2H3,(H,28,29)
InChIKeyHSUFAVMAYZXGBV-UHFFFAOYSA-N
XLogP6.55
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.57
LogP ≤ 56.55
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-chloro-N-[4-[(2-chloroacridin-9-yl)amino]phenyl]benzenesulfonamide
CID 127036798
4-(acridin-9-ylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 10550689
4-methyl-N-[4-(3-methylanilino)phenyl]benzenesulfonamide
CID 112985985
N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzenesulfonamide
CID 100580925
N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzenesulfonamide
CID 3371014
N-[4-(benzo[b][1,10]phenanthrolin-7-ylamino)phenyl]benzenesulfonamide
CID 10050670
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
4-(benzenesulfonamido)-N-(3,5-dimethylphenyl)benzenesulfonamide
CID 3385972
2-(4-fluorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]quinoline-4-carboxamide
CID 2439803
4-methoxy-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1398612
4-chloro-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1133668
2-(4-methoxyphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]quinoline-4-carboxamide
CID 3672707

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-[(2-methylacridin-9-yl)amino]phenyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[4-[(2-methylacridin-9-yl)amino]phenyl]benzenesulfonamide (CID 127036796) is 4-methyl-N-[4-[(2-methylacridin-9-yl)amino]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[4-[(2-methylacridin-9-yl)amino]phenyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[4-[(2-methylacridin-9-yl)amino]phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(Nc3c4ccccc4nc4ccc(C)cc34)cc2)cc1.
What is the InChIKey of 4-methyl-N-[4-[(2-methylacridin-9-yl)amino]phenyl]benzenesulfonamide?
The InChIKey is HSUFAVMAYZXGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O2S/c1-18-7-14-22(15-8-18)33(31,32)30-21-12-10-20(11-13-21)28-27-23-5-3-4-6-25(23)29-26-16-9-19(2)17-24(26)27/h3-17,30H,1-2H3,(H,28,29).
What are the key properties of 4-methyl-N-[4-[(2-methylacridin-9-yl)amino]phenyl]benzenesulfonamide?
4-methyl-N-[4-[(2-methylacridin-9-yl)amino]phenyl]benzenesulfonamide has a molecular weight of 453.57 g/mol, XLogP of 6.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-[(2-methylacridin-9-yl)amino]phenyl]benzenesulfonamide is sourced from PubChem (CID 127036796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).