N-benzo[b][1,7]phenanthrolin-10-yl-4-methylbenzenesulfonamide

C23H17N3O2S — CID 11133109

IUPACN-benzo[b][1,7]phenanthrolin-10-yl-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3cc4ccc5ncccc5c4nc3c2)cc1
InChIInChI=1S/C23H17N3O2S/c1-15-4-9-19(10-5-15)29(27,28)26-18-8-6-16-13-17-7-11-21-20(3-2-12-24-21)23(17)25-22(16)14-18/h2-14,26H,1H3
InChIKeyBTKAKKQNLKEAQQ-UHFFFAOYSA-N
MW399.48 g/mol
LogP5.05
Rot. Bonds3

About N-benzo[b][1,7]phenanthrolin-10-yl-4-methylbenzenesulfonamide

N-benzo[b][1,7]phenanthrolin-10-yl-4-methylbenzenesulfonamide (PubChem CID 11133109) has the molecular formula C23H17N3O2S and a molecular weight of 399.48 g/mol. Its IUPAC name is N-benzo[b][1,7]phenanthrolin-10-yl-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzo[b][1,7]phenanthrolin-10-yl-4-methylbenzenesulfonamide
PubChem CID11133109
Molecular FormulaC23H17N3O2S
Molecular Weight399.48 g/mol
Exact Mass399.10
IUPAC NameN-benzo[b][1,7]phenanthrolin-10-yl-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3cc4ccc5ncccc5c4nc3c2)cc1
InChIInChI=1S/C23H17N3O2S/c1-15-4-9-19(10-5-15)29(27,28)26-18-8-6-16-13-17-7-11-21-20(3-2-12-24-21)23(17)25-22(16)14-18/h2-14,26H,1H3
InChIKeyBTKAKKQNLKEAQQ-UHFFFAOYSA-N
XLogP5.05
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.48
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-benzo[b][1,7]phenanthrolin-10-yl-4-methylbenzenesulfonamide with MolForge

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Related Compounds

4-methyl-N-(4-pyridin-2-ylphenyl)benzenesulfonamide
CID 169370373
4-methyl-N-(3-methyl-4-oxoquinazolin-6-yl)benzenesulfonamide
CID 169372734
N-(6-amino-1,10-phenanthrolin-5-yl)-4-methylbenzenesulfonamide
CID 102264141
N-quinoxalin-6-ylbenzenesulfonamide
CID 3860445
4-methyl-N-(3-quinolin-3-ylphenyl)benzenesulfonamide
CID 169371631
4-methyl-N-[4-[(2-methylacridin-9-yl)amino]phenyl]benzenesulfonamide
CID 127036796
4-methyl-N-(6-methyl-3-pyridinyl)benzenesulfonamide
CID 84581619
N-(2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl)methanesulfonamide
CID 53309974
6-oxo-N-quinolin-6-yl-1H-pyridine-3-sulfonamide
CID 62636555
N-quinolin-6-ylethanesulfonamide
CID 64584546
4-methyl-N-(3-pyridin-4-ylphenyl)benzenesulfonamide
CID 169371905
4-methyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 108784217

Frequently Asked Questions

What is the IUPAC name of N-benzo[b][1,7]phenanthrolin-10-yl-4-methylbenzenesulfonamide?
The IUPAC name of N-benzo[b][1,7]phenanthrolin-10-yl-4-methylbenzenesulfonamide (CID 11133109) is N-benzo[b][1,7]phenanthrolin-10-yl-4-methylbenzenesulfonamide.
What is the SMILES notation for N-benzo[b][1,7]phenanthrolin-10-yl-4-methylbenzenesulfonamide?
The canonical SMILES for N-benzo[b][1,7]phenanthrolin-10-yl-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc3cc4ccc5ncccc5c4nc3c2)cc1.
What is the InChIKey of N-benzo[b][1,7]phenanthrolin-10-yl-4-methylbenzenesulfonamide?
The InChIKey is BTKAKKQNLKEAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O2S/c1-15-4-9-19(10-5-15)29(27,28)26-18-8-6-16-13-17-7-11-21-20(3-2-12-24-21)23(17)25-22(16)14-18/h2-14,26H,1H3.
What are the key properties of N-benzo[b][1,7]phenanthrolin-10-yl-4-methylbenzenesulfonamide?
N-benzo[b][1,7]phenanthrolin-10-yl-4-methylbenzenesulfonamide has a molecular weight of 399.48 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzo[b][1,7]phenanthrolin-10-yl-4-methylbenzenesulfonamide is sourced from PubChem (CID 11133109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).