N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide

C16H17N5O4S — CID 7998142

IUPACN-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)ccc1=O
InChIInChI=1S/C16H17N5O4S/c1-21-15(22)8-7-13(19-21)16(23)18-11-4-2-5-12(10-11)26(24,25)20-14-6-3-9-17-14/h2,4-5,7-8,10H,3,6,9H2,1H3,(H,17,20)(H,18,23)
InChIKeyALHGSFRRCAGSJE-UHFFFAOYSA-N
MW375.41 g/mol
LogP0.50
Rot. Bonds4

About N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide

N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 7998142) has the molecular formula C16H17N5O4S and a molecular weight of 375.41 g/mol. Its IUPAC name is N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID7998142
Molecular FormulaC16H17N5O4S
Molecular Weight375.41 g/mol
Exact Mass375.10
IUPAC NameN-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)ccc1=O
InChIInChI=1S/C16H17N5O4S/c1-21-15(22)8-7-13(19-21)16(23)18-11-4-2-5-12(10-11)26(24,25)20-14-6-3-9-17-14/h2,4-5,7-8,10H,3,6,9H2,1H3,(H,17,20)(H,18,23)
InChIKeyALHGSFRRCAGSJE-UHFFFAOYSA-N
XLogP0.50
TPSA122.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide (CID 7998142) is N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide is Cn1nc(C(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)ccc1=O.
What is the InChIKey of N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is ALHGSFRRCAGSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O4S/c1-21-15(22)8-7-13(19-21)16(23)18-11-4-2-5-12(10-11)26(24,25)20-14-6-3-9-17-14/h2,4-5,7-8,10H,3,6,9H2,1H3,(H,17,20)(H,18,23).
What are the key properties of N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide?
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 375.41 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 7998142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).