N-[(4-nitrophenyl)methyl]benzenesulfonamide

C13H12N2O4S — CID 15751182

IUPACN-[(4-nitrophenyl)methyl]benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(CNS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C13H12N2O4S/c16-15(17)12-8-6-11(7-9-12)10-14-20(18,19)13-4-2-1-3-5-13/h1-9,14H,10H2
InChIKeySAEFRNYMUQHEHO-UHFFFAOYSA-N
MW292.32 g/mol
LogP2.07
Rot. Bonds5

About N-[(4-nitrophenyl)methyl]benzenesulfonamide

N-[(4-nitrophenyl)methyl]benzenesulfonamide (PubChem CID 15751182) has the molecular formula C13H12N2O4S and a molecular weight of 292.32 g/mol. Its IUPAC name is N-[(4-nitrophenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(4-nitrophenyl)methyl]benzenesulfonamide
PubChem CID15751182
Molecular FormulaC13H12N2O4S
Molecular Weight292.32 g/mol
Exact Mass292.05
IUPAC NameN-[(4-nitrophenyl)methyl]benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(CNS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C13H12N2O4S/c16-15(17)12-8-6-11(7-9-12)10-14-20(18,19)13-4-2-1-3-5-13/h1-9,14H,10H2
InChIKeySAEFRNYMUQHEHO-UHFFFAOYSA-N
XLogP2.07
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 52.07
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'}

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Related Compounds

4-nitro-N-(2-phenylethyl)benzenesulfonamide
CID 682201
2-methyl-N-[[4-[[(4-nitrophenyl)sulfonylamino]methyl]phenyl]methyl]benzamide
CID 155521624
N-[(4-nitrophenyl)methyl]ethanesulfonamide
CID 47372696
N-[4-(benzylsulfamoyl)phenyl]-3,5-dinitrobenzamide
CID 4928896
N-[[4-[[(4-nitrophenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide
CID 155565992
4-(aminomethyl)-N-benzylbenzenesulfonamide;hydrochloride
CID 22051273
3-chloro-4-methoxy-N-[(4-nitrophenyl)methyl]benzenesulfonamide
CID 87033023
4-nitro-N-[7-[(4-nitrophenyl)sulfonylamino]heptyl]benzenesulfonamide
CID 4258542
N-benzyl-4-fluorobenzenesulfonamide
CID 835474
2-[4-(benzylsulfamoyl)phenyl]ethanethioamide
CID 79185403
N-[(6-nitro-1H-benzimidazol-2-yl)methyl]benzenesulfonamide
CID 30160078
N-[(2,5-dimethylfuran-3-yl)methyl]-4-nitrobenzenesulfonamide
CID 90536192

Frequently Asked Questions

What is the IUPAC name of N-[(4-nitrophenyl)methyl]benzenesulfonamide?
The IUPAC name of N-[(4-nitrophenyl)methyl]benzenesulfonamide (CID 15751182) is N-[(4-nitrophenyl)methyl]benzenesulfonamide.
What is the SMILES notation for N-[(4-nitrophenyl)methyl]benzenesulfonamide?
The canonical SMILES for N-[(4-nitrophenyl)methyl]benzenesulfonamide is O=[N+]([O-])c1ccc(CNS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[(4-nitrophenyl)methyl]benzenesulfonamide?
The InChIKey is SAEFRNYMUQHEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4S/c16-15(17)12-8-6-11(7-9-12)10-14-20(18,19)13-4-2-1-3-5-13/h1-9,14H,10H2.
What are the key properties of N-[(4-nitrophenyl)methyl]benzenesulfonamide?
N-[(4-nitrophenyl)methyl]benzenesulfonamide has a molecular weight of 292.32 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-nitrophenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 15751182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).