N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1-phenylmethanesulfonamide

C17H17N3O3S — CID 71779496

IUPACN-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1-phenylmethanesulfonamide
SMILESCn1nc(CNS(=O)(=O)Cc2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C17H17N3O3S/c1-20-17(21)15-10-6-5-9-14(15)16(19-20)11-18-24(22,23)12-13-7-3-2-4-8-13/h2-10,18H,11-12H2,1H3
InChIKeyFXLLGTSJJVCGGY-UHFFFAOYSA-N
MW343.41 g/mol
LogP1.55
Rot. Bonds5

About N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1-phenylmethanesulfonamide

N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1-phenylmethanesulfonamide (PubChem CID 71779496) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1-phenylmethanesulfonamide
PubChem CID71779496
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC NameN-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1-phenylmethanesulfonamide
SMILESCn1nc(CNS(=O)(=O)Cc2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C17H17N3O3S/c1-20-17(21)15-10-6-5-9-14(15)16(19-20)11-18-24(22,23)12-13-7-3-2-4-8-13/h2-10,18H,11-12H2,1H3
InChIKeyFXLLGTSJJVCGGY-UHFFFAOYSA-N
XLogP1.55
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzenesulfonamide
CID 71779501
4-ethyl-2-methylphthalazin-1-one
CID 58923354
N-methyl-1-[4-(3-methyl-4-oxophthalazin-1-yl)phenyl]methanesulfonamide
CID 157040140
4-(aminomethyl)-2-methylphthalazin-1-one
CID 589800
1-[(3-methyl-4-oxophthalazin-1-yl)methyl]-3-(2-phenoxyethyl)urea
CID 90489843
1-(4-chlorophenyl)-N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]methanesulfonamide
CID 110352103
tert-butyl N-[(3-methyl-4-oxophthalazin-1-yl)methyl]carbamate
CID 71779480
N-[3-(4-benzylpiperazin-1-yl)propyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 55633973
5-bromo-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]furan-2-carboxamide
CID 90490004
3,5-dimethyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide
CID 90489923
4-fluoro-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide
CID 90489941
4-benzyl-2,6-dimethylphthalazin-1-one
CID 15959130

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1-phenylmethanesulfonamide (CID 71779496) is N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1-phenylmethanesulfonamide is Cn1nc(CNS(=O)(=O)Cc2ccccc2)c2ccccc2c1=O.
What is the InChIKey of N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1-phenylmethanesulfonamide?
The InChIKey is FXLLGTSJJVCGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-20-17(21)15-10-6-5-9-14(15)16(19-20)11-18-24(22,23)12-13-7-3-2-4-8-13/h2-10,18H,11-12H2,1H3.
What are the key properties of N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1-phenylmethanesulfonamide?
N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1-phenylmethanesulfonamide has a molecular weight of 343.41 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 71779496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).