2-amino-N-pyrimidin-2-ylbenzenesulfonamide

C10H10N4O2S — CID 13015037

IUPAC2-amino-N-pyrimidin-2-ylbenzenesulfonamide
SMILESNc1ccccc1S(=O)(=O)Nc1ncccn1
InChIInChI=1S/C10H10N4O2S/c11-8-4-1-2-5-9(8)17(15,16)14-10-12-6-3-7-13-10/h1-7H,11H2,(H,12,13,14)
InChIKeyPYXGYXVXXFBFAT-UHFFFAOYSA-N
MW250.28 g/mol
LogP0.86
Rot. Bonds3

About 2-amino-N-pyrimidin-2-ylbenzenesulfonamide

2-amino-N-pyrimidin-2-ylbenzenesulfonamide (PubChem CID 13015037) has the molecular formula C10H10N4O2S and a molecular weight of 250.28 g/mol. Its IUPAC name is 2-amino-N-pyrimidin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-pyrimidin-2-ylbenzenesulfonamide
PubChem CID13015037
Molecular FormulaC10H10N4O2S
Molecular Weight250.28 g/mol
Exact Mass250.05
IUPAC Name2-amino-N-pyrimidin-2-ylbenzenesulfonamide
SMILESNc1ccccc1S(=O)(=O)Nc1ncccn1
InChIInChI=1S/C10H10N4O2S/c11-8-4-1-2-5-9(8)17(15,16)14-10-12-6-3-7-13-10/h1-7H,11H2,(H,12,13,14)
InChIKeyPYXGYXVXXFBFAT-UHFFFAOYSA-N
XLogP0.86
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(4-chloropyrimidin-2-yl)benzenesulfonamide
CID 114052205
N-pyrimidin-2-ylnaphthalene-1-sulfonamide
CID 75483860
2-amino-N-(1,3-oxazol-2-yl)benzenesulfonamide
CID 154131692
3-amino-4-(pyrimidin-2-ylsulfamoyl)benzamide
CID 81471489
2-amino-5-nitro-N-pyrimidin-2-ylbenzenesulfonamide
CID 62149589
bis(4-amino-N-pyrimidin-2-ylbenzenesulfonamide) dichloride
CID 18407969
silver 4-amino-N-pyrimidin-2-ylbenzenesulfonamide
CID 6711387
2-amino-5-bromo-4-fluoro-N-pyrimidin-2-ylbenzenesulfonamide
CID 106491327
5-amino-2,4-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 102945870
2-amino-N-(2-methylsulfonylphenyl)benzenesulfonamide
CID 61108416
2-amino-N-(2-iodophenyl)benzenesulfonamide
CID 43124657
2-amino-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 28590099

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-pyrimidin-2-ylbenzenesulfonamide?
The IUPAC name of 2-amino-N-pyrimidin-2-ylbenzenesulfonamide (CID 13015037) is 2-amino-N-pyrimidin-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-pyrimidin-2-ylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-pyrimidin-2-ylbenzenesulfonamide is Nc1ccccc1S(=O)(=O)Nc1ncccn1.
What is the InChIKey of 2-amino-N-pyrimidin-2-ylbenzenesulfonamide?
The InChIKey is PYXGYXVXXFBFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2S/c11-8-4-1-2-5-9(8)17(15,16)14-10-12-6-3-7-13-10/h1-7H,11H2,(H,12,13,14).
What are the key properties of 2-amino-N-pyrimidin-2-ylbenzenesulfonamide?
2-amino-N-pyrimidin-2-ylbenzenesulfonamide has a molecular weight of 250.28 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-pyrimidin-2-ylbenzenesulfonamide is sourced from PubChem (CID 13015037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).