N-(4-nitrophenyl)pyrimidine-2-sulfonamide

C10H8N4O4S — CID 172600186

IUPACN-(4-nitrophenyl)pyrimidine-2-sulfonamide
SMILESO=[N+]([O-])c1ccc(NS(=O)(=O)c2ncccn2)cc1
InChIInChI=1S/C10H8N4O4S/c15-14(16)9-4-2-8(3-5-9)13-19(17,18)10-11-6-1-7-12-10/h1-7,13H
InChIKeyHAFLPLXQLTWWPL-UHFFFAOYSA-N
MW280.26 g/mol
LogP1.19
Rot. Bonds4

About N-(4-nitrophenyl)pyrimidine-2-sulfonamide

N-(4-nitrophenyl)pyrimidine-2-sulfonamide (PubChem CID 172600186) has the molecular formula C10H8N4O4S and a molecular weight of 280.26 g/mol. Its IUPAC name is N-(4-nitrophenyl)pyrimidine-2-sulfonamide.

Molecular Properties

Compound NameN-(4-nitrophenyl)pyrimidine-2-sulfonamide
PubChem CID172600186
Molecular FormulaC10H8N4O4S
Molecular Weight280.26 g/mol
Exact Mass280.03
IUPAC NameN-(4-nitrophenyl)pyrimidine-2-sulfonamide
SMILESO=[N+]([O-])c1ccc(NS(=O)(=O)c2ncccn2)cc1
InChIInChI=1S/C10H8N4O4S/c15-14(16)9-4-2-8(3-5-9)13-19(17,18)10-11-6-1-7-12-10/h1-7,13H
InChIKeyHAFLPLXQLTWWPL-UHFFFAOYSA-N
XLogP1.19
TPSA115.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.26
LogP ≤ 51.19
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'}

Analyze N-(4-nitrophenyl)pyrimidine-2-sulfonamide 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-(4-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 100926768
5-chloro-1-methyl-N-(4-nitrophenyl)imidazole-4-sulfonamide
CID 43456020
N-(2,6-dimethylphenyl)-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide
CID 2219506
N-(4-nitrophenyl)ethanesulfonamide
CID 521811
2-amino-5-nitro-N-pyrimidin-2-ylbenzenesulfonamide
CID 62149589
N-ethyl-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide
CID 2225731
2-chloro-5-nitro-N-(4-nitrophenyl)benzenesulfonamide
CID 7559501
4-ethyl-N-(4-nitrophenyl)benzenesulfonamide
CID 22774107
4-nitro-N-(4-phenylmethoxyphenyl)benzenesulfonamide
CID 1379163
N-[5-(4-nitrophenyl)thiophen-3-yl]pyridine-2-sulfonamide
CID 67299059
3-[(4-nitrophenyl)sulfonylamino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 17192958
N-[4-(benzenesulfonamido)phenyl]-4-nitrobenzamide
CID 4230434

Frequently Asked Questions

What is the IUPAC name of N-(4-nitrophenyl)pyrimidine-2-sulfonamide?
The IUPAC name of N-(4-nitrophenyl)pyrimidine-2-sulfonamide (CID 172600186) is N-(4-nitrophenyl)pyrimidine-2-sulfonamide.
What is the SMILES notation for N-(4-nitrophenyl)pyrimidine-2-sulfonamide?
The canonical SMILES for N-(4-nitrophenyl)pyrimidine-2-sulfonamide is O=[N+]([O-])c1ccc(NS(=O)(=O)c2ncccn2)cc1.
What is the InChIKey of N-(4-nitrophenyl)pyrimidine-2-sulfonamide?
The InChIKey is HAFLPLXQLTWWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O4S/c15-14(16)9-4-2-8(3-5-9)13-19(17,18)10-11-6-1-7-12-10/h1-7,13H.
What are the key properties of N-(4-nitrophenyl)pyrimidine-2-sulfonamide?
N-(4-nitrophenyl)pyrimidine-2-sulfonamide has a molecular weight of 280.26 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitrophenyl)pyrimidine-2-sulfonamide is sourced from PubChem (CID 172600186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).