N-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-6-oxo-1H-pyridazine-3-carboxamide

C22H23N5O5S — CID 3438508

IUPACN-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccc(=O)[nH]n2)ccc1N1CCCC1
InChIInChI=1S/C22H23N5O5S/c1-32-19-7-3-2-6-16(19)26-33(30,31)20-14-15(8-10-18(20)27-12-4-5-13-27)23-22(29)17-9-11-21(28)25-24-17/h2-3,6-11,14,26H,4-5,12-13H2,1H3,(H,23,29)(H,25,28)
InChIKeyUTQVKCSCSTVUAT-UHFFFAOYSA-N
MW469.52 g/mol
LogP2.43
Rot. Bonds7

About N-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-6-oxo-1H-pyridazine-3-carboxamide

N-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 3438508) has the molecular formula C22H23N5O5S and a molecular weight of 469.52 g/mol. Its IUPAC name is N-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID3438508
Molecular FormulaC22H23N5O5S
Molecular Weight469.52 g/mol
Exact Mass469.14
IUPAC NameN-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccc(=O)[nH]n2)ccc1N1CCCC1
InChIInChI=1S/C22H23N5O5S/c1-32-19-7-3-2-6-16(19)26-33(30,31)20-14-15(8-10-18(20)27-12-4-5-13-27)23-22(29)17-9-11-21(28)25-24-17/h2-3,6-11,14,26H,4-5,12-13H2,1H3,(H,23,29)(H,25,28)
InChIKeyUTQVKCSCSTVUAT-UHFFFAOYSA-N
XLogP2.43
TPSA133.49 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.52
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2,4,5-trimethoxy-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]benzamide
CID 3359599
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]cyclobutanecarboxamide
CID 4008711
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-1,3-benzodioxole-5-carboxamide
CID 4845849
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-3-piperidin-1-ylsulfonylbenzamide
CID 5040459
3-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]propanamide
CID 98405271
3-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]propanamide
CID 98405272
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]cyclopentanecarboxamide
CID 4837031
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-nitrobenzamide
CID 4560302
3-(dimethylsulfamoyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide
CID 4849688
1-benzyl-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 4834845
N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 18775433
cis-(1R,2S)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-2-methylcyclopropane-1-carboxamide
CID 25349683

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 3438508) is N-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-6-oxo-1H-pyridazine-3-carboxamide is COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccc(=O)[nH]n2)ccc1N1CCCC1.
What is the InChIKey of N-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is UTQVKCSCSTVUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O5S/c1-32-19-7-3-2-6-16(19)26-33(30,31)20-14-15(8-10-18(20)27-12-4-5-13-27)23-22(29)17-9-11-21(28)25-24-17/h2-3,6-11,14,26H,4-5,12-13H2,1H3,(H,23,29)(H,25,28).
What are the key properties of N-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 469.52 g/mol, XLogP of 2.43, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 3438508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).