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

C17H16N4O4S — CID 166185009

IUPACN-[[4-(methanesulfonamido)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
SMILESCS(=O)(=O)Nc1ccc(CNC(=O)c2n[nH]c(=O)c3ccccc23)cc1
InChIInChI=1S/C17H16N4O4S/c1-26(24,25)21-12-8-6-11(7-9-12)10-18-17(23)15-13-4-2-3-5-14(13)16(22)20-19-15/h2-9,21H,10H2,1H3,(H,18,23)(H,20,22)
InChIKeyRDWOTDIAKINCGP-UHFFFAOYSA-N
MW372.41 g/mol
LogP1.22
Rot. Bonds5

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

N-[[4-(methanesulfonamido)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide (PubChem CID 166185009) has the molecular formula C17H16N4O4S and a molecular weight of 372.41 g/mol. Its IUPAC name is N-[[4-(methanesulfonamido)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(methanesulfonamido)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
PubChem CID166185009
Molecular FormulaC17H16N4O4S
Molecular Weight372.41 g/mol
Exact Mass372.09
IUPAC NameN-[[4-(methanesulfonamido)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
SMILESCS(=O)(=O)Nc1ccc(CNC(=O)c2n[nH]c(=O)c3ccccc23)cc1
InChIInChI=1S/C17H16N4O4S/c1-26(24,25)21-12-8-6-11(7-9-12)10-18-17(23)15-13-4-2-3-5-14(13)16(22)20-19-15/h2-9,21H,10H2,1H3,(H,18,23)(H,20,22)
InChIKeyRDWOTDIAKINCGP-UHFFFAOYSA-N
XLogP1.22
TPSA121.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 35837981
N-[[4-(methylsulfamoyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 55587037
N-[(4-nitrophenyl)methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 52666788
N-(4-ethylphenyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 756039
N-[2-(methylsulfamoyl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 102685137
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-[(4-acetamidophenyl)methyl]-1H-indazole-3-carboxamide
CID 18154228
N-(2-amino-2-ethylbutyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 119643507
N-[(3-carbamoylphenyl)methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 32636396
4-oxo-N-(4-sulfamoylphenyl)-3H-phthalazine-1-carboxamide
CID 2103773
N-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 154840495

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methanesulfonamido)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide?
The IUPAC name of N-[[4-(methanesulfonamido)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide (CID 166185009) is N-[[4-(methanesulfonamido)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide.
What is the SMILES notation for N-[[4-(methanesulfonamido)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide?
The canonical SMILES for N-[[4-(methanesulfonamido)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide is CS(=O)(=O)Nc1ccc(CNC(=O)c2n[nH]c(=O)c3ccccc23)cc1.
What is the InChIKey of N-[[4-(methanesulfonamido)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide?
The InChIKey is RDWOTDIAKINCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4S/c1-26(24,25)21-12-8-6-11(7-9-12)10-18-17(23)15-13-4-2-3-5-14(13)16(22)20-19-15/h2-9,21H,10H2,1H3,(H,18,23)(H,20,22).
What are the key properties of N-[[4-(methanesulfonamido)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide?
N-[[4-(methanesulfonamido)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide has a molecular weight of 372.41 g/mol, XLogP of 1.22, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methanesulfonamido)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 166185009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).