N-(6-amino-1,10-phenanthrolin-5-yl)-4-methylbenzenesulfonamide

C19H16N4O2S — CID 102264141

IUPACN-(6-amino-1,10-phenanthrolin-5-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2c(N)c3cccnc3c3ncccc23)cc1
InChIInChI=1S/C19H16N4O2S/c1-12-6-8-13(9-7-12)26(24,25)23-17-15-5-3-11-22-19(15)18-14(16(17)20)4-2-10-21-18/h2-11,23H,20H2,1H3
InChIKeyXGFTTZJKIGEKJO-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.47
Rot. Bonds3

About N-(6-amino-1,10-phenanthrolin-5-yl)-4-methylbenzenesulfonamide

N-(6-amino-1,10-phenanthrolin-5-yl)-4-methylbenzenesulfonamide (PubChem CID 102264141) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-(6-amino-1,10-phenanthrolin-5-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(6-amino-1,10-phenanthrolin-5-yl)-4-methylbenzenesulfonamide
PubChem CID102264141
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC NameN-(6-amino-1,10-phenanthrolin-5-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2c(N)c3cccnc3c3ncccc23)cc1
InChIInChI=1S/C19H16N4O2S/c1-12-6-8-13(9-7-12)26(24,25)23-17-15-5-3-11-22-19(15)18-14(16(17)20)4-2-10-21-18/h2-11,23H,20H2,1H3
InChIKeyXGFTTZJKIGEKJO-UHFFFAOYSA-N
XLogP3.47
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diaminobenzene_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromoquinolin-8-yl)-4-methylbenzenesulfonamide
CID 1380885
N-(4-amino-3-methylquinolin-2-yl)-4-methylbenzenesulfonamide
CID 141482671
3-[(4-methylphenyl)sulfonylamino]pyridine-2-carboxylic acid
CID 115778031
N-(8-aminoquinolin-5-yl)benzenesulfonamide
CID 104826550
N-benzo[b][1,7]phenanthrolin-10-yl-4-methylbenzenesulfonamide
CID 11133109
4-methyl-N-pyridazin-3-ylbenzenesulfonamide
CID 118115921
N-(5-amino-4-methyl-2-pyridinyl)-4-methylbenzenesulfonamide
CID 61293532
4-methyl-N-(4-pyridin-2-ylphenyl)benzenesulfonamide
CID 169370373
S-(5-chloroquinolin-8-yl) (2S)-2-[(4-methylphenyl)sulfonylamino]propanethioate
CID 139607757
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988
silver 4-amino-N-pyrimidin-2-ylbenzenesulfonamide
CID 6711387
bis(4-amino-N-pyrimidin-2-ylbenzenesulfonamide) dichloride
CID 18407969

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,10-phenanthrolin-5-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(6-amino-1,10-phenanthrolin-5-yl)-4-methylbenzenesulfonamide (CID 102264141) is N-(6-amino-1,10-phenanthrolin-5-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(6-amino-1,10-phenanthrolin-5-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(6-amino-1,10-phenanthrolin-5-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2c(N)c3cccnc3c3ncccc23)cc1.
What is the InChIKey of N-(6-amino-1,10-phenanthrolin-5-yl)-4-methylbenzenesulfonamide?
The InChIKey is XGFTTZJKIGEKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-12-6-8-13(9-7-12)26(24,25)23-17-15-5-3-11-22-19(15)18-14(16(17)20)4-2-10-21-18/h2-11,23H,20H2,1H3.
What are the key properties of N-(6-amino-1,10-phenanthrolin-5-yl)-4-methylbenzenesulfonamide?
N-(6-amino-1,10-phenanthrolin-5-yl)-4-methylbenzenesulfonamide has a molecular weight of 364.43 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1,10-phenanthrolin-5-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 102264141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).