4-methyl-N-(5-oxidobenzo[c]cinnolin-5-ium-4-yl)benzenesulfonamide

C19H15N3O3S — CID 118455435

IUPAC4-methyl-N-(5-oxidobenzo[c]cinnolin-5-ium-4-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc3c4ccccc4n[n+]([O-])c23)cc1
InChIInChI=1S/C19H15N3O3S/c1-13-9-11-14(12-10-13)26(24,25)21-18-8-4-6-16-15-5-2-3-7-17(15)20-22(23)19(16)18/h2-12,21H,1H3
InChIKeyOTEQCJUBQBCTQJ-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.13
Rot. Bonds3

About 4-methyl-N-(5-oxidobenzo[c]cinnolin-5-ium-4-yl)benzenesulfonamide

4-methyl-N-(5-oxidobenzo[c]cinnolin-5-ium-4-yl)benzenesulfonamide (PubChem CID 118455435) has the molecular formula C19H15N3O3S and a molecular weight of 365.41 g/mol. Its IUPAC name is 4-methyl-N-(5-oxidobenzo[c]cinnolin-5-ium-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(5-oxidobenzo[c]cinnolin-5-ium-4-yl)benzenesulfonamide
PubChem CID118455435
Molecular FormulaC19H15N3O3S
Molecular Weight365.41 g/mol
Exact Mass365.08
IUPAC Name4-methyl-N-(5-oxidobenzo[c]cinnolin-5-ium-4-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc3c4ccccc4n[n+]([O-])c23)cc1
InChIInChI=1S/C19H15N3O3S/c1-13-9-11-14(12-10-13)26(24,25)21-18-8-4-6-16-15-5-2-3-7-17(15)20-22(23)19(16)18/h2-12,21H,1H3
InChIKeyOTEQCJUBQBCTQJ-UHFFFAOYSA-N
XLogP3.13
TPSA86.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988
1,3-bis[2-[(4-methylphenyl)sulfonylamino]phenyl]urea
CID 170548847
N-[5-(benzenesulfonamido)naphthalen-1-yl]benzenesulfonamide
CID 3389796
2-methyl-N-[2-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide
CID 18668318
N-(4-amino-3-methylquinolin-2-yl)-4-methylbenzenesulfonamide
CID 141482671
4-methyl-N-(4-propylquinolin-3-yl)benzenesulfonamide
CID 164678226
N-[3-hydroxy-2-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide
CID 70133555
4-methyl-N-[2-[[2-[(4-methylphenyl)sulfonylamino]phenyl]diazenyl]phenyl]benzenesulfonamide
CID 102274853
N-[2-[chloro(phenyl)methyl]phenyl]-4-methylbenzenesulfonamide
CID 172728368
4-methyl-N-[2-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide
CID 101406239
N-(2-formyl-3-iodophenyl)-4-methylbenzenesulfonamide
CID 132509795
4-methyl-N-(6-methyl-2-phenylbenzotriazol-5-yl)benzenesulfonamide
CID 17220334

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(5-oxidobenzo[c]cinnolin-5-ium-4-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(5-oxidobenzo[c]cinnolin-5-ium-4-yl)benzenesulfonamide (CID 118455435) is 4-methyl-N-(5-oxidobenzo[c]cinnolin-5-ium-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(5-oxidobenzo[c]cinnolin-5-ium-4-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(5-oxidobenzo[c]cinnolin-5-ium-4-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cccc3c4ccccc4n[n+]([O-])c23)cc1.
What is the InChIKey of 4-methyl-N-(5-oxidobenzo[c]cinnolin-5-ium-4-yl)benzenesulfonamide?
The InChIKey is OTEQCJUBQBCTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3S/c1-13-9-11-14(12-10-13)26(24,25)21-18-8-4-6-16-15-5-2-3-7-17(15)20-22(23)19(16)18/h2-12,21H,1H3.
What are the key properties of 4-methyl-N-(5-oxidobenzo[c]cinnolin-5-ium-4-yl)benzenesulfonamide?
4-methyl-N-(5-oxidobenzo[c]cinnolin-5-ium-4-yl)benzenesulfonamide has a molecular weight of 365.41 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(5-oxidobenzo[c]cinnolin-5-ium-4-yl)benzenesulfonamide is sourced from PubChem (CID 118455435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).