N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-nitrobenzenesulfonamide

C14H12ClFN2O4S — CID 18080162

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-nitrobenzenesulfonamide
SMILESCN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H12ClFN2O4S/c1-17(9-10-11(15)5-4-6-12(10)16)23(21,22)14-8-3-2-7-13(14)18(19)20/h2-8H,9H2,1H3
InChIKeyFSDNHGBCCXZODG-UHFFFAOYSA-N
MW358.78 g/mol
LogP3.21
Rot. Bonds5

About N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-nitrobenzenesulfonamide

N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-nitrobenzenesulfonamide (PubChem CID 18080162) has the molecular formula C14H12ClFN2O4S and a molecular weight of 358.78 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-nitrobenzenesulfonamide
PubChem CID18080162
Molecular FormulaC14H12ClFN2O4S
Molecular Weight358.78 g/mol
Exact Mass358.02
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-nitrobenzenesulfonamide
SMILESCN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H12ClFN2O4S/c1-17(9-10-11(15)5-4-6-12(10)16)23(21,22)14-8-3-2-7-13(14)18(19)20/h2-8H,9H2,1H3
InChIKeyFSDNHGBCCXZODG-UHFFFAOYSA-N
XLogP3.21
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.78
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-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

4-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 61127332
N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-nitrobenzenesulfonamide
CID 26941888
N-[(2,3-dichlorophenyl)methyl]-N,2-dimethyl-3-nitrobenzenesulfonamide
CID 35302707
5-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide
CID 61127334
N-methyl-2-nitro-N-propylbenzenesulfonamide
CID 86867161
1-[(2-chloro-6-fluorophenyl)methyl]-4-(2-nitrophenyl)sulfonylpiperazine
CID 8746594
N-[(2S)-2-amino-2-(3-chlorophenyl)ethyl]-N-methyl-2-nitrobenzenesulfonamide
CID 118045765
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylethanesulfonamide
CID 107650651
N-(2-methoxyethyl)-N-methyl-2-nitrobenzenesulfonamide
CID 47306069
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyridine-4-sulfonamide
CID 61050922
N-[(2S)-2-amino-2-(3-bromo-2-fluorophenyl)ethyl]-N-methyl-2-nitrobenzenesulfonamide
CID 172807754
5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-nitrobenzamide
CID 18079967

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-nitrobenzenesulfonamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-nitrobenzenesulfonamide (CID 18080162) is N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-nitrobenzenesulfonamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-nitrobenzenesulfonamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-nitrobenzenesulfonamide is CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-nitrobenzenesulfonamide?
The InChIKey is FSDNHGBCCXZODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O4S/c1-17(9-10-11(15)5-4-6-12(10)16)23(21,22)14-8-3-2-7-13(14)18(19)20/h2-8H,9H2,1H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-nitrobenzenesulfonamide?
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-nitrobenzenesulfonamide has a molecular weight of 358.78 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-nitrobenzenesulfonamide is sourced from PubChem (CID 18080162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).