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

C10H9N5O4S — CID 62149589

IUPAC2-amino-5-nitro-N-pyrimidin-2-ylbenzenesulfonamide
SMILESNc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ncccn1
InChIInChI=1S/C10H9N5O4S/c11-8-3-2-7(15(16)17)6-9(8)20(18,19)14-10-12-4-1-5-13-10/h1-6H,11H2,(H,12,13,14)
InChIKeyOHHUWYXEVVHCIP-UHFFFAOYSA-N
MW295.28 g/mol
LogP0.77
Rot. Bonds4

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

2-amino-5-nitro-N-pyrimidin-2-ylbenzenesulfonamide (PubChem CID 62149589) has the molecular formula C10H9N5O4S and a molecular weight of 295.28 g/mol. Its IUPAC name is 2-amino-5-nitro-N-pyrimidin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-nitro-N-pyrimidin-2-ylbenzenesulfonamide
PubChem CID62149589
Molecular FormulaC10H9N5O4S
Molecular Weight295.28 g/mol
Exact Mass295.04
IUPAC Name2-amino-5-nitro-N-pyrimidin-2-ylbenzenesulfonamide
SMILESNc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ncccn1
InChIInChI=1S/C10H9N5O4S/c11-8-3-2-7(15(16)17)6-9(8)20(18,19)14-10-12-4-1-5-13-10/h1-6H,11H2,(H,12,13,14)
InChIKeyOHHUWYXEVVHCIP-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-pyrimidin-2-ylbenzenesulfonamide
CID 13015037
2-amino-N-(3-fluorophenyl)-5-nitrobenzenesulfonamide
CID 62145197
2-amino-N-tert-butyl-5-nitrobenzenesulfonamide
CID 62148445
5-hydrazinyl-2-nitro-N-pyrimidin-2-ylbenzenesulfonamide
CID 60989700
2-amino-N-(5-methyl-3-pyridinyl)-5-nitrobenzenesulfonamide
CID 107586582
2-amino-5-nitro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 62148380
2-hydrazinyl-4-nitro-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 114388268
2-amino-N-(1,3-dimethylpyrazol-4-yl)-5-nitrobenzenesulfonamide
CID 102807196
2-amino-5-nitro-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 63824001
2-amino-4-nitro-N-pyrimidin-5-ylbenzenesulfonamide
CID 107589863
2-amino-N-(1-methylsulfonylpropan-2-yl)-5-nitrobenzenesulfonamide
CID 64644430
2-amino-4-nitro-N-pyrazin-2-ylbenzenesulfonamide
CID 62146847

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-nitro-N-pyrimidin-2-ylbenzenesulfonamide?
The IUPAC name of 2-amino-5-nitro-N-pyrimidin-2-ylbenzenesulfonamide (CID 62149589) is 2-amino-5-nitro-N-pyrimidin-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-amino-5-nitro-N-pyrimidin-2-ylbenzenesulfonamide?
The canonical SMILES for 2-amino-5-nitro-N-pyrimidin-2-ylbenzenesulfonamide is Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ncccn1.
What is the InChIKey of 2-amino-5-nitro-N-pyrimidin-2-ylbenzenesulfonamide?
The InChIKey is OHHUWYXEVVHCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O4S/c11-8-3-2-7(15(16)17)6-9(8)20(18,19)14-10-12-4-1-5-13-10/h1-6H,11H2,(H,12,13,14).
What are the key properties of 2-amino-5-nitro-N-pyrimidin-2-ylbenzenesulfonamide?
2-amino-5-nitro-N-pyrimidin-2-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-5-nitro-N-pyrimidin-2-ylbenzenesulfonamide is sourced from PubChem (CID 62149589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).