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

C13H11FN2O4S — CID 2578365

IUPACN-[(2-fluorophenyl)methyl]-2-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)NCc1ccccc1F
InChIInChI=1S/C13H11FN2O4S/c14-11-6-2-1-5-10(11)9-15-21(19,20)13-8-4-3-7-12(13)16(17)18/h1-8,15H,9H2
InChIKeyAESXVFLYVCQRHA-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.21
Rot. Bonds5

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

N-[(2-fluorophenyl)methyl]-2-nitrobenzenesulfonamide (PubChem CID 2578365) has the molecular formula C13H11FN2O4S and a molecular weight of 310.31 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-nitrobenzenesulfonamide
PubChem CID2578365
Molecular FormulaC13H11FN2O4S
Molecular Weight310.31 g/mol
Exact Mass310.04
IUPAC NameN-[(2-fluorophenyl)methyl]-2-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)NCc1ccccc1F
InChIInChI=1S/C13H11FN2O4S/c14-11-6-2-1-5-10(11)9-15-21(19,20)13-8-4-3-7-12(13)16(17)18/h1-8,15H,9H2
InChIKeyAESXVFLYVCQRHA-UHFFFAOYSA-N
XLogP2.21
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
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-fluorophenyl)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

N-[(2,5-difluorophenyl)methyl]-2-nitrobenzenesulfonamide
CID 3768703
N-[(2-fluorophenyl)methyl]-4-methoxy-2-nitrobenzenesulfonamide
CID 31068793
2-nitro-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 38258386
N-[(2-fluorophenyl)methyl]-1-(2-nitrophenyl)methanamine
CID 28582574
2-nitro-N-[4-[(2-nitrophenyl)sulfonylamino]butyl]benzenesulfonamide
CID 3955828
N-[(3-chloro-2,6-difluorophenyl)methyl]-2-nitrobenzenesulfonamide
CID 3773427
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-nitrobenzenesulfonamide
CID 22209381
2-nitro-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzenesulfonamide
CID 34139784
N-(3-methyl-2-oxobut-3-enyl)-2-nitrobenzenesulfonamide
CID 71423746
N-(3-hydroxypropyl)-2-nitrobenzenesulfonamide
CID 4145930
N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-nitrobenzenesulfonamide
CID 22203897
N'-hydroxy-2-[(2-nitrophenyl)sulfonylamino]ethanimidamide
CID 135248443

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-nitrobenzenesulfonamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-nitrobenzenesulfonamide (CID 2578365) is N-[(2-fluorophenyl)methyl]-2-nitrobenzenesulfonamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-nitrobenzenesulfonamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-nitrobenzenesulfonamide is O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-nitrobenzenesulfonamide?
The InChIKey is AESXVFLYVCQRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O4S/c14-11-6-2-1-5-10(11)9-15-21(19,20)13-8-4-3-7-12(13)16(17)18/h1-8,15H,9H2.
What are the key properties of N-[(2-fluorophenyl)methyl]-2-nitrobenzenesulfonamide?
N-[(2-fluorophenyl)methyl]-2-nitrobenzenesulfonamide has a molecular weight of 310.31 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-nitrobenzenesulfonamide is sourced from PubChem (CID 2578365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).