N,N-dimethyl-5-(phthalazin-1-yloxymethyl)furan-2-sulfonamide

C15H15N3O4S — CID 53498944

IUPACN,N-dimethyl-5-(phthalazin-1-yloxymethyl)furan-2-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(COc2nncc3ccccc23)o1
InChIInChI=1S/C15H15N3O4S/c1-18(2)23(19,20)14-8-7-12(22-14)10-21-15-13-6-4-3-5-11(13)9-16-17-15/h3-9H,10H2,1-2H3
InChIKeyMFOBMFYNFMNFEU-UHFFFAOYSA-N
MW333.37 g/mol
LogP2.05
Rot. Bonds5

About N,N-dimethyl-5-(phthalazin-1-yloxymethyl)furan-2-sulfonamide

N,N-dimethyl-5-(phthalazin-1-yloxymethyl)furan-2-sulfonamide (PubChem CID 53498944) has the molecular formula C15H15N3O4S and a molecular weight of 333.37 g/mol. Its IUPAC name is N,N-dimethyl-5-(phthalazin-1-yloxymethyl)furan-2-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-5-(phthalazin-1-yloxymethyl)furan-2-sulfonamide
PubChem CID53498944
Molecular FormulaC15H15N3O4S
Molecular Weight333.37 g/mol
Exact Mass333.08
IUPAC NameN,N-dimethyl-5-(phthalazin-1-yloxymethyl)furan-2-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(COc2nncc3ccccc23)o1
InChIInChI=1S/C15H15N3O4S/c1-18(2)23(19,20)14-8-7-12(22-14)10-21-15-13-6-4-3-5-11(13)9-16-17-15/h3-9H,10H2,1-2H3
InChIKeyMFOBMFYNFMNFEU-UHFFFAOYSA-N
XLogP2.05
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-(phthalazin-1-yloxymethyl)furan-2-sulfonamide?
The IUPAC name of N,N-dimethyl-5-(phthalazin-1-yloxymethyl)furan-2-sulfonamide (CID 53498944) is N,N-dimethyl-5-(phthalazin-1-yloxymethyl)furan-2-sulfonamide.
What is the SMILES notation for N,N-dimethyl-5-(phthalazin-1-yloxymethyl)furan-2-sulfonamide?
The canonical SMILES for N,N-dimethyl-5-(phthalazin-1-yloxymethyl)furan-2-sulfonamide is CN(C)S(=O)(=O)c1ccc(COc2nncc3ccccc23)o1.
What is the InChIKey of N,N-dimethyl-5-(phthalazin-1-yloxymethyl)furan-2-sulfonamide?
The InChIKey is MFOBMFYNFMNFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4S/c1-18(2)23(19,20)14-8-7-12(22-14)10-21-15-13-6-4-3-5-11(13)9-16-17-15/h3-9H,10H2,1-2H3.
What are the key properties of N,N-dimethyl-5-(phthalazin-1-yloxymethyl)furan-2-sulfonamide?
N,N-dimethyl-5-(phthalazin-1-yloxymethyl)furan-2-sulfonamide has a molecular weight of 333.37 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-(phthalazin-1-yloxymethyl)furan-2-sulfonamide is sourced from PubChem (CID 53498944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).