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

C25H23N5O3S — CID 3338231

IUPAC4-methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)-N-(1-phenylethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)c2ccccc2)cc1-c1nnc2c3ccccc3c(C)nn12
InChIInChI=1S/C25H23N5O3S/c1-16(18-9-5-4-6-10-18)29-34(31,32)19-13-14-23(33-3)22(15-19)25-27-26-24-21-12-8-7-11-20(21)17(2)28-30(24)25/h4-16,29H,1-3H3
InChIKeyXEDGBYYNMRXERO-UHFFFAOYSA-N
MW473.56 g/mol
LogP4.30
Rot. Bonds6

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

4-methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)-N-(1-phenylethyl)benzenesulfonamide (PubChem CID 3338231) has the molecular formula C25H23N5O3S and a molecular weight of 473.56 g/mol. Its IUPAC name is 4-methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)-N-(1-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)-N-(1-phenylethyl)benzenesulfonamide
PubChem CID3338231
Molecular FormulaC25H23N5O3S
Molecular Weight473.56 g/mol
Exact Mass473.15
IUPAC Name4-methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)-N-(1-phenylethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)c2ccccc2)cc1-c1nnc2c3ccccc3c(C)nn12
InChIInChI=1S/C25H23N5O3S/c1-16(18-9-5-4-6-10-18)29-34(31,32)19-13-14-23(33-3)22(15-19)25-27-26-24-21-12-8-7-11-20(21)17(2)28-30(24)25/h4-16,29H,1-3H3
InChIKeyXEDGBYYNMRXERO-UHFFFAOYSA-N
XLogP4.30
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.56
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methoxy-5-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 1290640
N-(3-hydroxypropyl)-4-methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide
CID 3813990
3-amino-4-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 43111821
3-iodo-4-methoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 1294098
3-amino-4-methoxy-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 30058768
N-(2-hydroxyethyl)-4-(methoxymethyl)-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide
CID 91062739
4-fluoro-3-methoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 935410
3,4-dimethyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 2408945
4-methoxy-3,5-dimethyl-N-(1-phenylethyl)benzenesulfonamide
CID 112822925
4-ethoxy-3-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 7377815
2-methoxy-5-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)aniline
CID 82167264
N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 28958747

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)-N-(1-phenylethyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)-N-(1-phenylethyl)benzenesulfonamide (CID 3338231) is 4-methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)-N-(1-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)-N-(1-phenylethyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)-N-(1-phenylethyl)benzenesulfonamide is COc1ccc(S(=O)(=O)NC(C)c2ccccc2)cc1-c1nnc2c3ccccc3c(C)nn12.
What is the InChIKey of 4-methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)-N-(1-phenylethyl)benzenesulfonamide?
The InChIKey is XEDGBYYNMRXERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O3S/c1-16(18-9-5-4-6-10-18)29-34(31,32)19-13-14-23(33-3)22(15-19)25-27-26-24-21-12-8-7-11-20(21)17(2)28-30(24)25/h4-16,29H,1-3H3.
What are the key properties of 4-methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)-N-(1-phenylethyl)benzenesulfonamide?
4-methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)-N-(1-phenylethyl)benzenesulfonamide has a molecular weight of 473.56 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)-N-(1-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 3338231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).