5-(4-anilinophthalazin-1-yl)-2-methylbenzenesulfonamide

C21H18N4O2S — CID 6402927

IUPAC5-(4-anilinophthalazin-1-yl)-2-methylbenzenesulfonamide
SMILESCc1ccc(-c2nnc(Nc3ccccc3)c3ccccc23)cc1S(N)(=O)=O
InChIInChI=1S/C21H18N4O2S/c1-14-11-12-15(13-19(14)28(22,26)27)20-17-9-5-6-10-18(17)21(25-24-20)23-16-7-3-2-4-8-16/h2-13H,1H3,(H,23,25)(H2,22,26,27)
InChIKeyMZIABAQLPQXTPW-UHFFFAOYSA-N
MW390.47 g/mol
LogP4.00
Rot. Bonds4

About 5-(4-anilinophthalazin-1-yl)-2-methylbenzenesulfonamide

5-(4-anilinophthalazin-1-yl)-2-methylbenzenesulfonamide (PubChem CID 6402927) has the molecular formula C21H18N4O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is 5-(4-anilinophthalazin-1-yl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-(4-anilinophthalazin-1-yl)-2-methylbenzenesulfonamide
PubChem CID6402927
Molecular FormulaC21H18N4O2S
Molecular Weight390.47 g/mol
Exact Mass390.12
IUPAC Name5-(4-anilinophthalazin-1-yl)-2-methylbenzenesulfonamide
SMILESCc1ccc(-c2nnc(Nc3ccccc3)c3ccccc23)cc1S(N)(=O)=O
InChIInChI=1S/C21H18N4O2S/c1-14-11-12-15(13-19(14)28(22,26)27)20-17-9-5-6-10-18(17)21(25-24-20)23-16-7-3-2-4-8-16/h2-13H,1H3,(H,23,25)(H2,22,26,27)
InChIKeyMZIABAQLPQXTPW-UHFFFAOYSA-N
XLogP4.00
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-anilinophthalazin-1-yl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-(4-anilinophthalazin-1-yl)-2-methylbenzenesulfonamide (CID 6402927) is 5-(4-anilinophthalazin-1-yl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-(4-anilinophthalazin-1-yl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-(4-anilinophthalazin-1-yl)-2-methylbenzenesulfonamide is Cc1ccc(-c2nnc(Nc3ccccc3)c3ccccc23)cc1S(N)(=O)=O.
What is the InChIKey of 5-(4-anilinophthalazin-1-yl)-2-methylbenzenesulfonamide?
The InChIKey is MZIABAQLPQXTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S/c1-14-11-12-15(13-19(14)28(22,26)27)20-17-9-5-6-10-18(17)21(25-24-20)23-16-7-3-2-4-8-16/h2-13H,1H3,(H,23,25)(H2,22,26,27).
What are the key properties of 5-(4-anilinophthalazin-1-yl)-2-methylbenzenesulfonamide?
5-(4-anilinophthalazin-1-yl)-2-methylbenzenesulfonamide has a molecular weight of 390.47 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-anilinophthalazin-1-yl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 6402927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).