4-[(4-methylphthalazin-1-yl)amino]benzenesulfonamide

C15H14N4O2S — CID 2881633

IUPAC4-[(4-methylphthalazin-1-yl)amino]benzenesulfonamide
SMILESCc1nnc(Nc2ccc(S(N)(=O)=O)cc2)c2ccccc12
InChIInChI=1S/C15H14N4O2S/c1-10-13-4-2-3-5-14(13)15(19-18-10)17-11-6-8-12(9-7-11)22(16,20)21/h2-9H,1H3,(H,17,19)(H2,16,20,21)
InChIKeyLMMOWGVGZDURKF-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.33
Rot. Bonds3

About 4-[(4-methylphthalazin-1-yl)amino]benzenesulfonamide

4-[(4-methylphthalazin-1-yl)amino]benzenesulfonamide (PubChem CID 2881633) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is 4-[(4-methylphthalazin-1-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(4-methylphthalazin-1-yl)amino]benzenesulfonamide
PubChem CID2881633
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC Name4-[(4-methylphthalazin-1-yl)amino]benzenesulfonamide
SMILESCc1nnc(Nc2ccc(S(N)(=O)=O)cc2)c2ccccc12
InChIInChI=1S/C15H14N4O2S/c1-10-13-4-2-3-5-14(13)15(19-18-10)17-11-6-8-12(9-7-11)22(16,20)21/h2-9H,1H3,(H,17,19)(H2,16,20,21)
InChIKeyLMMOWGVGZDURKF-UHFFFAOYSA-N
XLogP2.33
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylphthalazin-1-yl)amino]benzenesulfonamide?
The IUPAC name of 4-[(4-methylphthalazin-1-yl)amino]benzenesulfonamide (CID 2881633) is 4-[(4-methylphthalazin-1-yl)amino]benzenesulfonamide.
What is the SMILES notation for 4-[(4-methylphthalazin-1-yl)amino]benzenesulfonamide?
The canonical SMILES for 4-[(4-methylphthalazin-1-yl)amino]benzenesulfonamide is Cc1nnc(Nc2ccc(S(N)(=O)=O)cc2)c2ccccc12.
What is the InChIKey of 4-[(4-methylphthalazin-1-yl)amino]benzenesulfonamide?
The InChIKey is LMMOWGVGZDURKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S/c1-10-13-4-2-3-5-14(13)15(19-18-10)17-11-6-8-12(9-7-11)22(16,20)21/h2-9H,1H3,(H,17,19)(H2,16,20,21).
What are the key properties of 4-[(4-methylphthalazin-1-yl)amino]benzenesulfonamide?
4-[(4-methylphthalazin-1-yl)amino]benzenesulfonamide has a molecular weight of 314.37 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylphthalazin-1-yl)amino]benzenesulfonamide is sourced from PubChem (CID 2881633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).