2-amino-3-pyrimidin-4-ylbenzenesulfonamide

C10H10N4O2S — CID 175302030

IUPAC2-amino-3-pyrimidin-4-ylbenzenesulfonamide
SMILESNc1c(-c2ccncn2)cccc1S(N)(=O)=O
InChIInChI=1S/C10H10N4O2S/c11-10-7(8-4-5-13-6-14-8)2-1-3-9(10)17(12,15)16/h1-6H,11H2,(H2,12,15,16)
InChIKeyZPTLTEOVXJVAMX-UHFFFAOYSA-N
MW250.28 g/mol
LogP0.37
Rot. Bonds2

About 2-amino-3-pyrimidin-4-ylbenzenesulfonamide

2-amino-3-pyrimidin-4-ylbenzenesulfonamide (PubChem CID 175302030) has the molecular formula C10H10N4O2S and a molecular weight of 250.28 g/mol. Its IUPAC name is 2-amino-3-pyrimidin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-3-pyrimidin-4-ylbenzenesulfonamide
PubChem CID175302030
Molecular FormulaC10H10N4O2S
Molecular Weight250.28 g/mol
Exact Mass250.05
IUPAC Name2-amino-3-pyrimidin-4-ylbenzenesulfonamide
SMILESNc1c(-c2ccncn2)cccc1S(N)(=O)=O
InChIInChI=1S/C10H10N4O2S/c11-10-7(8-4-5-13-6-14-8)2-1-3-9(10)17(12,15)16/h1-6H,11H2,(H2,12,15,16)
InChIKeyZPTLTEOVXJVAMX-UHFFFAOYSA-N
XLogP0.37
TPSA111.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-pyrimidin-4-ylbenzenesulfonamide?
The IUPAC name of 2-amino-3-pyrimidin-4-ylbenzenesulfonamide (CID 175302030) is 2-amino-3-pyrimidin-4-ylbenzenesulfonamide.
What is the SMILES notation for 2-amino-3-pyrimidin-4-ylbenzenesulfonamide?
The canonical SMILES for 2-amino-3-pyrimidin-4-ylbenzenesulfonamide is Nc1c(-c2ccncn2)cccc1S(N)(=O)=O.
What is the InChIKey of 2-amino-3-pyrimidin-4-ylbenzenesulfonamide?
The InChIKey is ZPTLTEOVXJVAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2S/c11-10-7(8-4-5-13-6-14-8)2-1-3-9(10)17(12,15)16/h1-6H,11H2,(H2,12,15,16).
What are the key properties of 2-amino-3-pyrimidin-4-ylbenzenesulfonamide?
2-amino-3-pyrimidin-4-ylbenzenesulfonamide has a molecular weight of 250.28 g/mol, XLogP of 0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-pyrimidin-4-ylbenzenesulfonamide is sourced from PubChem (CID 175302030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).