N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]hexanamide

C16H23N3O3S — CID 25163881

IUPACN-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]hexanamide
SMILESCCCCCC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1
InChIInChI=1S/C16H23N3O3S/c1-2-3-4-10-16(20)18-13-7-5-8-14(12-13)23(21,22)19-15-9-6-11-17-15/h5,7-8,12H,2-4,6,9-11H2,1H3,(H,17,19)(H,18,20)
InChIKeyFPAOQNIGUYTDGA-UHFFFAOYSA-N
MW337.44 g/mol
LogP2.68
Rot. Bonds7

About N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]hexanamide

N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]hexanamide (PubChem CID 25163881) has the molecular formula C16H23N3O3S and a molecular weight of 337.44 g/mol. Its IUPAC name is N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]hexanamide.

Molecular Properties

Compound NameN-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]hexanamide
PubChem CID25163881
Molecular FormulaC16H23N3O3S
Molecular Weight337.44 g/mol
Exact Mass337.15
IUPAC NameN-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]hexanamide
SMILESCCCCCC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1
InChIInChI=1S/C16H23N3O3S/c1-2-3-4-10-16(20)18-13-7-5-8-14(12-13)23(21,22)19-15-9-6-11-17-15/h5,7-8,12H,2-4,6,9-11H2,1H3,(H,17,19)(H,18,20)
InChIKeyFPAOQNIGUYTDGA-UHFFFAOYSA-N
XLogP2.68
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]hexanamide?
The IUPAC name of N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]hexanamide (CID 25163881) is N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]hexanamide.
What is the SMILES notation for N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]hexanamide?
The canonical SMILES for N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]hexanamide is CCCCCC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1.
What is the InChIKey of N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]hexanamide?
The InChIKey is FPAOQNIGUYTDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-2-3-4-10-16(20)18-13-7-5-8-14(12-13)23(21,22)19-15-9-6-11-17-15/h5,7-8,12H,2-4,6,9-11H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]hexanamide?
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]hexanamide has a molecular weight of 337.44 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]hexanamide is sourced from PubChem (CID 25163881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).