2-methyl-5-(3-propan-2-yl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)benzenesulfonamide

C19H19N5O2S — CID 4908873

IUPAC2-methyl-5-(3-propan-2-yl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)benzenesulfonamide
SMILESCc1ccc(-c2nn3c(C(C)C)nnc3c3ccccc23)cc1S(N)(=O)=O
InChIInChI=1S/C19H19N5O2S/c1-11(2)18-21-22-19-15-7-5-4-6-14(15)17(23-24(18)19)13-9-8-12(3)16(10-13)27(20,25)26/h4-11H,1-3H3,(H2,20,25,26)
InChIKeyKZASGEGQVQQBRH-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.02
Rot. Bonds3

About 2-methyl-5-(3-propan-2-yl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)benzenesulfonamide

2-methyl-5-(3-propan-2-yl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)benzenesulfonamide (PubChem CID 4908873) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is 2-methyl-5-(3-propan-2-yl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-5-(3-propan-2-yl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)benzenesulfonamide
PubChem CID4908873
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC Name2-methyl-5-(3-propan-2-yl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)benzenesulfonamide
SMILESCc1ccc(-c2nn3c(C(C)C)nnc3c3ccccc23)cc1S(N)(=O)=O
InChIInChI=1S/C19H19N5O2S/c1-11(2)18-21-22-19-15-7-5-4-6-14(15)17(23-24(18)19)13-9-8-12(3)16(10-13)27(20,25)26/h4-11H,1-3H3,(H2,20,25,26)
InChIKeyKZASGEGQVQQBRH-UHFFFAOYSA-N
XLogP3.02
TPSA103.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(3-propan-2-yl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)benzenesulfonamide?
The IUPAC name of 2-methyl-5-(3-propan-2-yl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)benzenesulfonamide (CID 4908873) is 2-methyl-5-(3-propan-2-yl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)benzenesulfonamide.
What is the SMILES notation for 2-methyl-5-(3-propan-2-yl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)benzenesulfonamide?
The canonical SMILES for 2-methyl-5-(3-propan-2-yl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)benzenesulfonamide is Cc1ccc(-c2nn3c(C(C)C)nnc3c3ccccc23)cc1S(N)(=O)=O.
What is the InChIKey of 2-methyl-5-(3-propan-2-yl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)benzenesulfonamide?
The InChIKey is KZASGEGQVQQBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c1-11(2)18-21-22-19-15-7-5-4-6-14(15)17(23-24(18)19)13-9-8-12(3)16(10-13)27(20,25)26/h4-11H,1-3H3,(H2,20,25,26).
What are the key properties of 2-methyl-5-(3-propan-2-yl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)benzenesulfonamide?
2-methyl-5-(3-propan-2-yl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)benzenesulfonamide has a molecular weight of 381.46 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(3-propan-2-yl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)benzenesulfonamide is sourced from PubChem (CID 4908873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).