N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-nitrobenzenesulfonamide

C18H17N3O5S — CID 110325883

IUPACN-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-nitrobenzenesulfonamide
SMILESCc1ccc2cc(CCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)c(=O)[nH]c2c1
InChIInChI=1S/C18H17N3O5S/c1-12-5-6-13-10-14(18(22)20-17(13)9-12)7-8-19-27(25,26)16-4-2-3-15(11-16)21(23)24/h2-6,9-11,19H,7-8H2,1H3,(H,20,22)
InChIKeyMNBJSQJADMUOKX-UHFFFAOYSA-N
MW387.42 g/mol
LogP2.27
Rot. Bonds6

About N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-nitrobenzenesulfonamide

N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-nitrobenzenesulfonamide (PubChem CID 110325883) has the molecular formula C18H17N3O5S and a molecular weight of 387.42 g/mol. Its IUPAC name is N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-nitrobenzenesulfonamide
PubChem CID110325883
Molecular FormulaC18H17N3O5S
Molecular Weight387.42 g/mol
Exact Mass387.09
IUPAC NameN-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-nitrobenzenesulfonamide
SMILESCc1ccc2cc(CCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)c(=O)[nH]c2c1
InChIInChI=1S/C18H17N3O5S/c1-12-5-6-13-10-14(18(22)20-17(13)9-12)7-8-19-27(25,26)16-4-2-3-15(11-16)21(23)24/h2-6,9-11,19H,7-8H2,1H3,(H,20,22)
InChIKeyMNBJSQJADMUOKX-UHFFFAOYSA-N
XLogP2.27
TPSA122.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-nitrobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-acetyl-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide
CID 110414998
4-bromo-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide
CID 4068078
3-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 110324619
N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-nitrobenzenesulfonamide
CID 110324856
4-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 110324590
N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methylbenzenesulfonamide
CID 110326434
1-(2-chlorophenyl)-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]methanesulfonamide
CID 110325870
N-[2-(1H-indol-3-yl)ethyl]-3-nitrobenzenesulfonamide
CID 19590106
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-nitrobenzenesulfonamide
CID 110711936
3-nitro-N-octylbenzenesulfonamide
CID 19681347
4-methoxy-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide
CID 110325662
N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-dimethylbenzenesulfonamide
CID 110326425

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-nitrobenzenesulfonamide?
The IUPAC name of N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-nitrobenzenesulfonamide (CID 110325883) is N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-nitrobenzenesulfonamide.
What is the SMILES notation for N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-nitrobenzenesulfonamide?
The canonical SMILES for N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-nitrobenzenesulfonamide is Cc1ccc2cc(CCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)c(=O)[nH]c2c1.
What is the InChIKey of N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-nitrobenzenesulfonamide?
The InChIKey is MNBJSQJADMUOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O5S/c1-12-5-6-13-10-14(18(22)20-17(13)9-12)7-8-19-27(25,26)16-4-2-3-15(11-16)21(23)24/h2-6,9-11,19H,7-8H2,1H3,(H,20,22).
What are the key properties of N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-nitrobenzenesulfonamide?
N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-nitrobenzenesulfonamide has a molecular weight of 387.42 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-nitrobenzenesulfonamide is sourced from PubChem (CID 110325883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).