N-(2-hydroxyethyl)-4-(methoxymethyl)-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide

C20H21N5O4S — CID 91062739

IUPACN-(2-hydroxyethyl)-4-(methoxymethyl)-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide
SMILESCOCc1ccc(S(=O)(=O)NCCO)cc1-c1nnc2c3ccccc3c(C)nn12
InChIInChI=1S/C20H21N5O4S/c1-13-16-5-3-4-6-17(16)19-22-23-20(25(19)24-13)18-11-15(8-7-14(18)12-29-2)30(27,28)21-9-10-26/h3-8,11,21,26H,9-10,12H2,1-2H3
InChIKeyFZHHQBPQPPMXIG-UHFFFAOYSA-N
MW427.49 g/mol
LogP1.67
Rot. Bonds7

About N-(2-hydroxyethyl)-4-(methoxymethyl)-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide

N-(2-hydroxyethyl)-4-(methoxymethyl)-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide (PubChem CID 91062739) has the molecular formula C20H21N5O4S and a molecular weight of 427.49 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-(methoxymethyl)-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-(methoxymethyl)-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide
PubChem CID91062739
Molecular FormulaC20H21N5O4S
Molecular Weight427.49 g/mol
Exact Mass427.13
IUPAC NameN-(2-hydroxyethyl)-4-(methoxymethyl)-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide
SMILESCOCc1ccc(S(=O)(=O)NCCO)cc1-c1nnc2c3ccccc3c(C)nn12
InChIInChI=1S/C20H21N5O4S/c1-13-16-5-3-4-6-17(16)19-22-23-20(25(19)24-13)18-11-15(8-7-14(18)12-29-2)30(27,28)21-9-10-26/h3-8,11,21,26H,9-10,12H2,1-2H3
InChIKeyFZHHQBPQPPMXIG-UHFFFAOYSA-N
XLogP1.67
TPSA118.71 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.49
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3-hydroxypropyl)-4-methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide
CID 3813990
4-methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)-N-(1-phenylethyl)benzenesulfonamide
CID 3338231
N-[2-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]acetamide
CID 4910545
2-methoxy-5-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)aniline
CID 82167264
N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide
CID 81258228
N-(2-hydroxyethyl)-4-(5-hydroxy-2-methoxyphenyl)benzenesulfonamide
CID 166288259
N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
CID 2055080
4-chloro-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide
CID 25049689
N-(2-hydroxyethyl)-3-methyl-4-[2-(oxan-2-ylmethyl)tetrazol-5-yl]benzenesulfonamide
CID 137499940
3-(3-fluorophenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine
CID 139616217
4-(aminomethyl)-N-(2-methoxyethyl)-3-methylbenzenesulfonamide
CID 106919075
4-methyl-N-[(6-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)methyl]benzenesulfonamide
CID 4870631

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-(methoxymethyl)-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-4-(methoxymethyl)-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide (CID 91062739) is N-(2-hydroxyethyl)-4-(methoxymethyl)-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-(methoxymethyl)-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-(methoxymethyl)-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide is COCc1ccc(S(=O)(=O)NCCO)cc1-c1nnc2c3ccccc3c(C)nn12.
What is the InChIKey of N-(2-hydroxyethyl)-4-(methoxymethyl)-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide?
The InChIKey is FZHHQBPQPPMXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4S/c1-13-16-5-3-4-6-17(16)19-22-23-20(25(19)24-13)18-11-15(8-7-14(18)12-29-2)30(27,28)21-9-10-26/h3-8,11,21,26H,9-10,12H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-4-(methoxymethyl)-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide?
N-(2-hydroxyethyl)-4-(methoxymethyl)-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide has a molecular weight of 427.49 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-(methoxymethyl)-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide is sourced from PubChem (CID 91062739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).