4-(methylsulfamoyl)benzo[a]phenazine-11-carboxylic acid

C18H13N3O4S — CID 10937458

IUPAC4-(methylsulfamoyl)benzo[a]phenazine-11-carboxylic acid
SMILESCNS(=O)(=O)c1cccc2c1ccc1nc3cccc(C(=O)O)c3nc12
InChIInChI=1S/C18H13N3O4S/c1-19-26(24,25)15-7-3-4-11-10(15)8-9-14-16(11)21-17-12(18(22)23)5-2-6-13(17)20-14/h2-9,19H,1H3,(H,22,23)
InChIKeyRBFBTTHVJYEIIM-UHFFFAOYSA-N
MW367.39 g/mol
LogP2.54
Rot. Bonds3

About 4-(methylsulfamoyl)benzo[a]phenazine-11-carboxylic acid

4-(methylsulfamoyl)benzo[a]phenazine-11-carboxylic acid (PubChem CID 10937458) has the molecular formula C18H13N3O4S and a molecular weight of 367.39 g/mol. Its IUPAC name is 4-(methylsulfamoyl)benzo[a]phenazine-11-carboxylic acid.

Molecular Properties

Compound Name4-(methylsulfamoyl)benzo[a]phenazine-11-carboxylic acid
PubChem CID10937458
Molecular FormulaC18H13N3O4S
Molecular Weight367.39 g/mol
Exact Mass367.06
IUPAC Name4-(methylsulfamoyl)benzo[a]phenazine-11-carboxylic acid
SMILESCNS(=O)(=O)c1cccc2c1ccc1nc3cccc(C(=O)O)c3nc12
InChIInChI=1S/C18H13N3O4S/c1-19-26(24,25)15-7-3-4-11-10(15)8-9-14-16(11)21-17-12(18(22)23)5-2-6-13(17)20-14/h2-9,19H,1H3,(H,22,23)
InChIKeyRBFBTTHVJYEIIM-UHFFFAOYSA-N
XLogP2.54
TPSA109.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.39
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6666_A(2)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-methoxycarbonylbenzo[a]phenazine-11-carboxylic acid
CID 11782518
3-methylsulfonylbenzo[a]phenazine-11-carboxylic acid
CID 11035560
3-nitrobenzo[a]phenazine-11-carboxylic acid
CID 10925216
8-[2-(methylsulfamoyl)phenyl]sulfanylnaphthalene-1-carboxylic acid
CID 2817411
2-acetyl-N-methylbenzenesulfonamide
CID 130548930
N-methylphenazine-1-carboxamide
CID 4257706
6-[(1R)-1-hydroxyethyl]phenazine-1-carboxylic acid
CID 56928077
2-(fluorosulfamoyl)benzoic acid
CID 87516154
tert-butyl N-[5-(methylsulfamoyl)naphthalen-1-yl]carbamate
CID 11739198
N-[2-(dimethylamino)ethyl]-4-phenylmethoxybenzo[a]phenazine-11-carboxamide
CID 10114847
ethane;2-(quinoxalin-5-ylsulfonylamino)benzoic acid
CID 90727760
4-methoxy-N-(2-morpholin-4-ylethyl)benzo[a]phenazine-11-carboxamide
CID 10180151

Frequently Asked Questions

What is the IUPAC name of 4-(methylsulfamoyl)benzo[a]phenazine-11-carboxylic acid?
The IUPAC name of 4-(methylsulfamoyl)benzo[a]phenazine-11-carboxylic acid (CID 10937458) is 4-(methylsulfamoyl)benzo[a]phenazine-11-carboxylic acid.
What is the SMILES notation for 4-(methylsulfamoyl)benzo[a]phenazine-11-carboxylic acid?
The canonical SMILES for 4-(methylsulfamoyl)benzo[a]phenazine-11-carboxylic acid is CNS(=O)(=O)c1cccc2c1ccc1nc3cccc(C(=O)O)c3nc12.
What is the InChIKey of 4-(methylsulfamoyl)benzo[a]phenazine-11-carboxylic acid?
The InChIKey is RBFBTTHVJYEIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O4S/c1-19-26(24,25)15-7-3-4-11-10(15)8-9-14-16(11)21-17-12(18(22)23)5-2-6-13(17)20-14/h2-9,19H,1H3,(H,22,23).
What are the key properties of 4-(methylsulfamoyl)benzo[a]phenazine-11-carboxylic acid?
4-(methylsulfamoyl)benzo[a]phenazine-11-carboxylic acid has a molecular weight of 367.39 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylsulfamoyl)benzo[a]phenazine-11-carboxylic acid is sourced from PubChem (CID 10937458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).