4-aminobenzenesulfonamide;5-methylpyrimidine

C11H14N4O2S — CID 174451060

IUPAC4-aminobenzenesulfonamide;5-methylpyrimidine
SMILESCc1cncnc1.Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C6H8N2O2S.C5H6N2/c7-5-1-3-6(4-2-5)11(8,9)10;1-5-2-6-4-7-3-5/h1-4H,7H2,(H2,8,9,10);2-4H,1H3
InChIKeyCOCGHSVPEGEKAK-UHFFFAOYSA-N
MW266.33 g/mol
LogP0.70
Rot. Bonds1

About 4-aminobenzenesulfonamide;5-methylpyrimidine

4-aminobenzenesulfonamide;5-methylpyrimidine (PubChem CID 174451060) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 4-aminobenzenesulfonamide;5-methylpyrimidine.

Molecular Properties

Compound Name4-aminobenzenesulfonamide;5-methylpyrimidine
PubChem CID174451060
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name4-aminobenzenesulfonamide;5-methylpyrimidine
SMILESCc1cncnc1.Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C6H8N2O2S.C5H6N2/c7-5-1-3-6(4-2-5)11(8,9)10;1-5-2-6-4-7-3-5/h1-4H,7H2,(H2,8,9,10);2-4H,1H3
InChIKeyCOCGHSVPEGEKAK-UHFFFAOYSA-N
XLogP0.70
TPSA111.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 50.70
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 4-aminobenzenesulfonamide;5-methylpyrimidine?
The IUPAC name of 4-aminobenzenesulfonamide;5-methylpyrimidine (CID 174451060) is 4-aminobenzenesulfonamide;5-methylpyrimidine.
What is the SMILES notation for 4-aminobenzenesulfonamide;5-methylpyrimidine?
The canonical SMILES for 4-aminobenzenesulfonamide;5-methylpyrimidine is Cc1cncnc1.Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-aminobenzenesulfonamide;5-methylpyrimidine?
The InChIKey is COCGHSVPEGEKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S.C5H6N2/c7-5-1-3-6(4-2-5)11(8,9)10;1-5-2-6-4-7-3-5/h1-4H,7H2,(H2,8,9,10);2-4H,1H3.
What are the key properties of 4-aminobenzenesulfonamide;5-methylpyrimidine?
4-aminobenzenesulfonamide;5-methylpyrimidine has a molecular weight of 266.33 g/mol, XLogP of 0.70, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobenzenesulfonamide;5-methylpyrimidine is sourced from PubChem (CID 174451060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).