4-nitro-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide

C16H12N4O5S — CID 122302577

IUPAC4-nitro-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)Nc2cnc(Oc3ccccc3)nc2)cc1
InChIInChI=1S/C16H12N4O5S/c21-20(22)13-6-8-15(9-7-13)26(23,24)19-12-10-17-16(18-11-12)25-14-4-2-1-3-5-14/h1-11,19H
InChIKeyWUWJVEFQNILWBH-UHFFFAOYSA-N
MW372.36 g/mol
LogP2.98
Rot. Bonds6

About 4-nitro-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide

4-nitro-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide (PubChem CID 122302577) has the molecular formula C16H12N4O5S and a molecular weight of 372.36 g/mol. Its IUPAC name is 4-nitro-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-nitro-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide
PubChem CID122302577
Molecular FormulaC16H12N4O5S
Molecular Weight372.36 g/mol
Exact Mass372.05
IUPAC Name4-nitro-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)Nc2cnc(Oc3ccccc3)nc2)cc1
InChIInChI=1S/C16H12N4O5S/c21-20(22)13-6-8-15(9-7-13)26(23,24)19-12-10-17-16(18-11-12)25-14-4-2-1-3-5-14/h1-11,19H
InChIKeyWUWJVEFQNILWBH-UHFFFAOYSA-N
XLogP2.98
TPSA124.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-nitro-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide 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-ethoxypyrimidin-5-yl)-4-nitrobenzenesulfonamide
CID 122302186
4-(4-nitrophenoxy)-N-pyridin-3-ylbenzenesulfonamide
CID 1355803
4-(2,5-dioxopyrrolidin-1-yl)-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide
CID 122302540
N-(2-phenoxypyrimidin-5-yl)-4-pyrazol-1-ylbenzenesulfonamide
CID 122302547
3,4-dimethoxy-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide
CID 122302279
4-(2-chlorophenoxy)-N-(4-nitrophenyl)benzenesulfonamide
CID 3535744
4-methoxy-3-methyl-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide
CID 122302290
4-(4-nitrophenoxy)-N-pyridin-2-ylbenzenesulfonamide
CID 1378990
4-nitro-N-(4-phenylmethoxyphenyl)benzenesulfonamide
CID 1379163
2-(4-nitrophenoxy)-N-pyridin-3-ylbenzenesulfonamide
CID 70868021
3-[[4-(4-nitrophenoxy)phenyl]sulfonylamino]benzoic acid
CID 1116085
N-(3-diaminophosphoryloxyphenyl)-4-nitrobenzenesulfonamide
CID 23341646

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide?
The IUPAC name of 4-nitro-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide (CID 122302577) is 4-nitro-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-nitro-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide?
The canonical SMILES for 4-nitro-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide is O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cnc(Oc3ccccc3)nc2)cc1.
What is the InChIKey of 4-nitro-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide?
The InChIKey is WUWJVEFQNILWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O5S/c21-20(22)13-6-8-15(9-7-13)26(23,24)19-12-10-17-16(18-11-12)25-14-4-2-1-3-5-14/h1-11,19H.
What are the key properties of 4-nitro-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide?
4-nitro-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide has a molecular weight of 372.36 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide is sourced from PubChem (CID 122302577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).