2-nitro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzenesulfonamide

C19H17N3O5S — CID 55904944

IUPAC2-nitro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzenesulfonamide
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)NCc1ccnc(OCc2ccccc2)c1
InChIInChI=1S/C19H17N3O5S/c23-22(24)17-8-4-5-9-18(17)28(25,26)21-13-16-10-11-20-19(12-16)27-14-15-6-2-1-3-7-15/h1-12,21H,13-14H2
InChIKeyWXDQNEDKJFMHPX-UHFFFAOYSA-N
MW399.43 g/mol
LogP3.05
Rot. Bonds8

About 2-nitro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzenesulfonamide

2-nitro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzenesulfonamide (PubChem CID 55904944) has the molecular formula C19H17N3O5S and a molecular weight of 399.43 g/mol. Its IUPAC name is 2-nitro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-nitro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzenesulfonamide
PubChem CID55904944
Molecular FormulaC19H17N3O5S
Molecular Weight399.43 g/mol
Exact Mass399.09
IUPAC Name2-nitro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzenesulfonamide
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)NCc1ccnc(OCc2ccccc2)c1
InChIInChI=1S/C19H17N3O5S/c23-22(24)17-8-4-5-9-18(17)28(25,26)21-13-16-10-11-20-19(12-16)27-14-15-6-2-1-3-7-15/h1-12,21H,13-14H2
InChIKeyWXDQNEDKJFMHPX-UHFFFAOYSA-N
XLogP3.05
TPSA111.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 53.05
H-Bond Donors ≤ 51
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

2-fluoro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzenesulfonamide
CID 60539439
2-nitro-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 54897073
3-nitro-4-[(2-phenylmethoxy-4-pyridinyl)methylamino]benzamide
CID 60505262
5-methyl-4-nitro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]thiophene-2-carboxamide
CID 46476097
N-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]-2-methyl-6-nitrobenzenesulfonamide
CID 55913266
3-methyl-4-nitro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide
CID 55707101
N-(1,3-benzodioxol-5-ylmethyl)-2-nitrobenzenesulfonamide
CID 591042
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2-methyl-6-nitrobenzenesulfonamide
CID 55914573
4-[[[butyl(methyl)sulfamoyl]amino]methyl]-2-phenylmethoxypyridine
CID 47064895
N-[(2-phenylmethoxy-4-pyridinyl)methyl]morpholine-4-sulfonamide
CID 47064899
N-[(3,5-dimethyl-2-pyridinyl)methyl]-2-nitrobenzenesulfonamide
CID 67272193
2-nitro-N-(2-phenoxyethyl)benzenesulfonamide
CID 2302768

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzenesulfonamide?
The IUPAC name of 2-nitro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzenesulfonamide (CID 55904944) is 2-nitro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-nitro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzenesulfonamide?
The canonical SMILES for 2-nitro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzenesulfonamide is O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1ccnc(OCc2ccccc2)c1.
What is the InChIKey of 2-nitro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzenesulfonamide?
The InChIKey is WXDQNEDKJFMHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O5S/c23-22(24)17-8-4-5-9-18(17)28(25,26)21-13-16-10-11-20-19(12-16)27-14-15-6-2-1-3-7-15/h1-12,21H,13-14H2.
What are the key properties of 2-nitro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzenesulfonamide?
2-nitro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzenesulfonamide has a molecular weight of 399.43 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzenesulfonamide is sourced from PubChem (CID 55904944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).