N-methyl-2-nitro-N-quinolin-8-ylbenzenesulfonamide

C16H13N3O4S — CID 123578429

IUPACN-methyl-2-nitro-N-quinolin-8-ylbenzenesulfonamide
SMILESCN(c1cccc2cccnc12)S(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H13N3O4S/c1-18(14-9-4-6-12-7-5-11-17-16(12)14)24(22,23)15-10-3-2-8-13(15)19(20)21/h2-11H,1H3
InChIKeySCVXLPJMVZOQRU-UHFFFAOYSA-N
MW343.36 g/mol
LogP2.97
Rot. Bonds4

About N-methyl-2-nitro-N-quinolin-8-ylbenzenesulfonamide

N-methyl-2-nitro-N-quinolin-8-ylbenzenesulfonamide (PubChem CID 123578429) has the molecular formula C16H13N3O4S and a molecular weight of 343.36 g/mol. Its IUPAC name is N-methyl-2-nitro-N-quinolin-8-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-methyl-2-nitro-N-quinolin-8-ylbenzenesulfonamide
PubChem CID123578429
Molecular FormulaC16H13N3O4S
Molecular Weight343.36 g/mol
Exact Mass343.06
IUPAC NameN-methyl-2-nitro-N-quinolin-8-ylbenzenesulfonamide
SMILESCN(c1cccc2cccnc12)S(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H13N3O4S/c1-18(14-9-4-6-12-7-5-11-17-16(12)14)24(22,23)15-10-3-2-8-13(15)19(20)21/h2-11H,1H3
InChIKeySCVXLPJMVZOQRU-UHFFFAOYSA-N
XLogP2.97
TPSA93.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 52.97
H-Bond Donors ≤ 50
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-methyl-2-nitro-N-quinolin-8-ylbenzenesulfonamide 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

N-(2-chloro-3-pyridinyl)-N-methyl-2-nitrobenzenesulfonamide
CID 11652789
N-(2-ethoxyphenyl)-N-methyl-2-nitrobenzenesulfonamide
CID 99717909
2-[methyl-(2-nitrophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 4738958
N-methyl-N-[2-[methyl-(2-nitrophenyl)sulfonylamino]phenyl]carbamoyl chloride
CID 89058737
5-chloro-N-(2-chloro-3-pyridinyl)-N-methyl-2-nitrobenzenesulfonamide
CID 11494255
N-methyl-5-nitro-N-phenylquinoline-8-sulfonamide
CID 122142980
N-methyl-7-nitroquinolin-8-amine
CID 131339088
2-amino-N-methyl-N-(2-nitrophenyl)sulfonylbenzenesulfonamide
CID 90809948
N-[(2R)-butan-2-yl]-N-methyl-2-nitrobenzenesulfonamide
CID 11022024
N-methyl-2-nitro-N-propylbenzenesulfonamide
CID 86867161
N-methyl-N-(2-nitrophenyl)methanesulfonamide
CID 13314625
N-methyl-2-nitro-N-propan-2-ylbenzenesulfonamide;2-nitrobenzenesulfonyl chloride
CID 161416921

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-nitro-N-quinolin-8-ylbenzenesulfonamide?
The IUPAC name of N-methyl-2-nitro-N-quinolin-8-ylbenzenesulfonamide (CID 123578429) is N-methyl-2-nitro-N-quinolin-8-ylbenzenesulfonamide.
What is the SMILES notation for N-methyl-2-nitro-N-quinolin-8-ylbenzenesulfonamide?
The canonical SMILES for N-methyl-2-nitro-N-quinolin-8-ylbenzenesulfonamide is CN(c1cccc2cccnc12)S(=O)(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-methyl-2-nitro-N-quinolin-8-ylbenzenesulfonamide?
The InChIKey is SCVXLPJMVZOQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O4S/c1-18(14-9-4-6-12-7-5-11-17-16(12)14)24(22,23)15-10-3-2-8-13(15)19(20)21/h2-11H,1H3.
What are the key properties of N-methyl-2-nitro-N-quinolin-8-ylbenzenesulfonamide?
N-methyl-2-nitro-N-quinolin-8-ylbenzenesulfonamide has a molecular weight of 343.36 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-nitro-N-quinolin-8-ylbenzenesulfonamide is sourced from PubChem (CID 123578429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).