N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide

C18H18N4O4S — CID 35837981

IUPACN-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
SMILESCNS(=O)(=O)Cc1ccc(CNC(=O)c2n[nH]c(=O)c3ccccc23)cc1
InChIInChI=1S/C18H18N4O4S/c1-19-27(25,26)11-13-8-6-12(7-9-13)10-20-18(24)16-14-4-2-3-5-15(14)17(23)22-21-16/h2-9,19H,10-11H2,1H3,(H,20,24)(H,22,23)
InChIKeyUWZZTZXTONBKDS-UHFFFAOYSA-N
MW386.43 g/mol
LogP0.90
Rot. Bonds6

About N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide

N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide (PubChem CID 35837981) has the molecular formula C18H18N4O4S and a molecular weight of 386.43 g/mol. Its IUPAC name is N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
PubChem CID35837981
Molecular FormulaC18H18N4O4S
Molecular Weight386.43 g/mol
Exact Mass386.10
IUPAC NameN-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
SMILESCNS(=O)(=O)Cc1ccc(CNC(=O)c2n[nH]c(=O)c3ccccc23)cc1
InChIInChI=1S/C18H18N4O4S/c1-19-27(25,26)11-13-8-6-12(7-9-13)10-20-18(24)16-14-4-2-3-5-15(14)17(23)22-21-16/h2-9,19H,10-11H2,1H3,(H,20,24)(H,22,23)
InChIKeyUWZZTZXTONBKDS-UHFFFAOYSA-N
XLogP0.90
TPSA121.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(methylsulfamoyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 55587037
N-[2-(methylsulfamoyl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 102685137
N-[[4-(methanesulfonamido)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 166185009
4-bromo-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56560231
N-[(4-nitrophenyl)methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 52666788
N-[(5-methylthiophen-2-yl)methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 60972041
N-[(2R)-2-hydroxypropyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 83031398
N-(2-amino-2-ethylbutyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 119643507
N-(4-ethylphenyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 756039
N-[(3-carbamoylphenyl)methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 32636396
N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-(trifluoromethyl)benzamide
CID 33284711
N-(5-methylhexan-2-yl)-4-oxo-3H-phthalazine-1-carboxamide
CID 43398156

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide?
The IUPAC name of N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide (CID 35837981) is N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide.
What is the SMILES notation for N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide?
The canonical SMILES for N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide is CNS(=O)(=O)Cc1ccc(CNC(=O)c2n[nH]c(=O)c3ccccc23)cc1.
What is the InChIKey of N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide?
The InChIKey is UWZZTZXTONBKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4S/c1-19-27(25,26)11-13-8-6-12(7-9-13)10-20-18(24)16-14-4-2-3-5-15(14)17(23)22-21-16/h2-9,19H,10-11H2,1H3,(H,20,24)(H,22,23).
What are the key properties of N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide?
N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide has a molecular weight of 386.43 g/mol, XLogP of 0.90, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 35837981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).