2-amino-4-nitro-N-pyrimidin-5-ylbenzenesulfonamide

C10H9N5O4S — CID 107589863

IUPAC2-amino-4-nitro-N-pyrimidin-5-ylbenzenesulfonamide
SMILESNc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cncnc1
InChIInChI=1S/C10H9N5O4S/c11-9-3-8(15(16)17)1-2-10(9)20(18,19)14-7-4-12-6-13-5-7/h1-6,14H,11H2
InChIKeyDFFSIRMGNKEPKB-UHFFFAOYSA-N
MW295.28 g/mol
LogP0.77
Rot. Bonds4

About 2-amino-4-nitro-N-pyrimidin-5-ylbenzenesulfonamide

2-amino-4-nitro-N-pyrimidin-5-ylbenzenesulfonamide (PubChem CID 107589863) has the molecular formula C10H9N5O4S and a molecular weight of 295.28 g/mol. Its IUPAC name is 2-amino-4-nitro-N-pyrimidin-5-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-nitro-N-pyrimidin-5-ylbenzenesulfonamide
PubChem CID107589863
Molecular FormulaC10H9N5O4S
Molecular Weight295.28 g/mol
Exact Mass295.04
IUPAC Name2-amino-4-nitro-N-pyrimidin-5-ylbenzenesulfonamide
SMILESNc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cncnc1
InChIInChI=1S/C10H9N5O4S/c11-9-3-8(15(16)17)1-2-10(9)20(18,19)14-7-4-12-6-13-5-7/h1-6,14H,11H2
InChIKeyDFFSIRMGNKEPKB-UHFFFAOYSA-N
XLogP0.77
TPSA141.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(5-methyl-3-pyridinyl)-5-nitrobenzenesulfonamide
CID 107586582
2-amino-4-nitro-N-pyrazin-2-ylbenzenesulfonamide
CID 62146847
2-amino-4-bromo-N-pyrimidin-5-ylbenzenesulfonamide
CID 107587465
2-amino-4-nitro-N-(thiatriazol-5-yl)benzenesulfonamide
CID 114914128
2-amino-N-(2-methylphenyl)-4-nitrobenzenesulfonamide
CID 62143538
2-amino-N-(3-methyl-1,2-oxazol-5-yl)-4-nitrobenzenesulfonamide
CID 62162658
2-amino-5-nitro-N-pyrimidin-2-ylbenzenesulfonamide
CID 62149589
2-amino-N-(3-fluorophenyl)-5-nitrobenzenesulfonamide
CID 62145197
2-amino-N-(3-ethylpentan-3-yl)-4-nitrobenzenesulfonamide
CID 65042718
3-amino-4-methyl-N-pyrimidin-5-ylbenzenesulfonamide
CID 107587481
N-(6-amino-3-pyridinyl)-2-methyl-5-nitrobenzenesulfonamide
CID 60792562
2-amino-N-(2-fluoro-4-nitrophenyl)benzenesulfonamide
CID 62153847

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-nitro-N-pyrimidin-5-ylbenzenesulfonamide?
The IUPAC name of 2-amino-4-nitro-N-pyrimidin-5-ylbenzenesulfonamide (CID 107589863) is 2-amino-4-nitro-N-pyrimidin-5-ylbenzenesulfonamide.
What is the SMILES notation for 2-amino-4-nitro-N-pyrimidin-5-ylbenzenesulfonamide?
The canonical SMILES for 2-amino-4-nitro-N-pyrimidin-5-ylbenzenesulfonamide is Nc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cncnc1.
What is the InChIKey of 2-amino-4-nitro-N-pyrimidin-5-ylbenzenesulfonamide?
The InChIKey is DFFSIRMGNKEPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O4S/c11-9-3-8(15(16)17)1-2-10(9)20(18,19)14-7-4-12-6-13-5-7/h1-6,14H,11H2.
What are the key properties of 2-amino-4-nitro-N-pyrimidin-5-ylbenzenesulfonamide?
2-amino-4-nitro-N-pyrimidin-5-ylbenzenesulfonamide has a molecular weight of 295.28 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-nitro-N-pyrimidin-5-ylbenzenesulfonamide is sourced from PubChem (CID 107589863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).