N,N-dimethyl-4-phthalazin-1-ylpiperazine-1-sulfonamide

C14H19N5O2S — CID 110715643

IUPACN,N-dimethyl-4-phthalazin-1-ylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(c2nncc3ccccc23)CC1
InChIInChI=1S/C14H19N5O2S/c1-17(2)22(20,21)19-9-7-18(8-10-19)14-13-6-4-3-5-12(13)11-15-16-14/h3-6,11H,7-10H2,1-2H3
InChIKeyXWFLJJNDXYODMG-UHFFFAOYSA-N
MW321.41 g/mol
LogP0.56
Rot. Bonds3

About N,N-dimethyl-4-phthalazin-1-ylpiperazine-1-sulfonamide

N,N-dimethyl-4-phthalazin-1-ylpiperazine-1-sulfonamide (PubChem CID 110715643) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is N,N-dimethyl-4-phthalazin-1-ylpiperazine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-phthalazin-1-ylpiperazine-1-sulfonamide
PubChem CID110715643
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC NameN,N-dimethyl-4-phthalazin-1-ylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(c2nncc3ccccc23)CC1
InChIInChI=1S/C14H19N5O2S/c1-17(2)22(20,21)19-9-7-18(8-10-19)14-13-6-4-3-5-12(13)11-15-16-14/h3-6,11H,7-10H2,1-2H3
InChIKeyXWFLJJNDXYODMG-UHFFFAOYSA-N
XLogP0.56
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-phthalazin-1-ylpiperazine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-4-phthalazin-1-ylpiperazine-1-sulfonamide (CID 110715643) is N,N-dimethyl-4-phthalazin-1-ylpiperazine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-4-phthalazin-1-ylpiperazine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-4-phthalazin-1-ylpiperazine-1-sulfonamide is CN(C)S(=O)(=O)N1CCN(c2nncc3ccccc23)CC1.
What is the InChIKey of N,N-dimethyl-4-phthalazin-1-ylpiperazine-1-sulfonamide?
The InChIKey is XWFLJJNDXYODMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-17(2)22(20,21)19-9-7-18(8-10-19)14-13-6-4-3-5-12(13)11-15-16-14/h3-6,11H,7-10H2,1-2H3.
What are the key properties of N,N-dimethyl-4-phthalazin-1-ylpiperazine-1-sulfonamide?
N,N-dimethyl-4-phthalazin-1-ylpiperazine-1-sulfonamide has a molecular weight of 321.41 g/mol, XLogP of 0.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-phthalazin-1-ylpiperazine-1-sulfonamide is sourced from PubChem (CID 110715643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).