4-[[(5-nitro-6-phenyl-2-pyridinyl)amino]methyl]benzenesulfonamide

C18H16N4O4S — CID 133407312

IUPAC4-[[(5-nitro-6-phenyl-2-pyridinyl)amino]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)cc1
InChIInChI=1S/C18H16N4O4S/c19-27(25,26)15-8-6-13(7-9-15)12-20-17-11-10-16(22(23)24)18(21-17)14-4-2-1-3-5-14/h1-11H,12H2,(H,20,21)(H2,19,25,26)
InChIKeyZEGFVMZWCUHSBJ-UHFFFAOYSA-N
MW384.42 g/mol
LogP2.92
Rot. Bonds6

About 4-[[(5-nitro-6-phenyl-2-pyridinyl)amino]methyl]benzenesulfonamide

4-[[(5-nitro-6-phenyl-2-pyridinyl)amino]methyl]benzenesulfonamide (PubChem CID 133407312) has the molecular formula C18H16N4O4S and a molecular weight of 384.42 g/mol. Its IUPAC name is 4-[[(5-nitro-6-phenyl-2-pyridinyl)amino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[(5-nitro-6-phenyl-2-pyridinyl)amino]methyl]benzenesulfonamide
PubChem CID133407312
Molecular FormulaC18H16N4O4S
Molecular Weight384.42 g/mol
Exact Mass384.09
IUPAC Name4-[[(5-nitro-6-phenyl-2-pyridinyl)amino]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)cc1
InChIInChI=1S/C18H16N4O4S/c19-27(25,26)15-8-6-13(7-9-15)12-20-17-11-10-16(22(23)24)18(21-17)14-4-2-1-3-5-14/h1-11H,12H2,(H,20,21)(H2,19,25,26)
InChIKeyZEGFVMZWCUHSBJ-UHFFFAOYSA-N
XLogP2.92
TPSA128.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N-methyl-3-[[(5-nitro-6-phenyl-2-pyridinyl)amino]methyl]benzamide
CID 133409032
4-[[(6-bromo-2-pyridinyl)amino]methyl]benzenesulfonamide
CID 106192569
5-nitro-6-phenyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyridin-2-amine
CID 133409271
N-[2-[(5-nitro-6-phenyl-2-pyridinyl)amino]ethyl]acetamide
CID 133407553
6-N-[(4-aminophenyl)methyl]-3-nitropyridine-2,6-diamine
CID 116650455
N-[(4-aminophenyl)methyl]-6-methyl-5-nitropyridin-2-amine
CID 116650504
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-nitro-6-phenylpyridin-2-amine
CID 133459077
2-[(5-nitro-6-phenyl-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 133407596
phenyl N-[2-amino-6-[(4-sulfamoylphenyl)methylamino]-3-pyridinyl]carbamate
CID 110187356
6-[(4-aminophenyl)methylamino]-3-nitropyridine-2-carbonitrile
CID 103472658
4-[(pyrimidin-4-ylamino)methyl]benzenesulfonamide
CID 61253359
1-[4-[2-[(5-nitro-6-phenyl-2-pyridinyl)amino]ethyl]piperazin-1-yl]ethanone
CID 133409481

Frequently Asked Questions

What is the IUPAC name of 4-[[(5-nitro-6-phenyl-2-pyridinyl)amino]methyl]benzenesulfonamide?
The IUPAC name of 4-[[(5-nitro-6-phenyl-2-pyridinyl)amino]methyl]benzenesulfonamide (CID 133407312) is 4-[[(5-nitro-6-phenyl-2-pyridinyl)amino]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[(5-nitro-6-phenyl-2-pyridinyl)amino]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[(5-nitro-6-phenyl-2-pyridinyl)amino]methyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-[[(5-nitro-6-phenyl-2-pyridinyl)amino]methyl]benzenesulfonamide?
The InChIKey is ZEGFVMZWCUHSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O4S/c19-27(25,26)15-8-6-13(7-9-15)12-20-17-11-10-16(22(23)24)18(21-17)14-4-2-1-3-5-14/h1-11H,12H2,(H,20,21)(H2,19,25,26).
What are the key properties of 4-[[(5-nitro-6-phenyl-2-pyridinyl)amino]methyl]benzenesulfonamide?
4-[[(5-nitro-6-phenyl-2-pyridinyl)amino]methyl]benzenesulfonamide has a molecular weight of 384.42 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-nitro-6-phenyl-2-pyridinyl)amino]methyl]benzenesulfonamide is sourced from PubChem (CID 133407312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).