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

C15H19N3O3S — CID 3351089

IUPACN-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]cyclobutanecarboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)C1CCC1
InChIInChI=1S/C15H19N3O3S/c19-15(11-4-1-5-11)17-12-6-2-7-13(10-12)22(20,21)18-14-8-3-9-16-14/h2,6-7,10-11H,1,3-5,8-9H2,(H,16,18)(H,17,19)
InChIKeyQBVWHTFWFHBDBV-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.90
Rot. Bonds4

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

N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]cyclobutanecarboxamide (PubChem CID 3351089) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]cyclobutanecarboxamide
PubChem CID3351089
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC NameN-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]cyclobutanecarboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)C1CCC1
InChIInChI=1S/C15H19N3O3S/c19-15(11-4-1-5-11)17-12-6-2-7-13(10-12)22(20,21)18-14-8-3-9-16-14/h2,6-7,10-11H,1,3-5,8-9H2,(H,16,18)(H,17,19)
InChIKeyQBVWHTFWFHBDBV-UHFFFAOYSA-N
XLogP1.90
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]cyclobutanecarboxamide?
The IUPAC name of N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]cyclobutanecarboxamide (CID 3351089) is N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]cyclobutanecarboxamide?
The canonical SMILES for N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]cyclobutanecarboxamide is O=C(Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)C1CCC1.
What is the InChIKey of N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]cyclobutanecarboxamide?
The InChIKey is QBVWHTFWFHBDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c19-15(11-4-1-5-11)17-12-6-2-7-13(10-12)22(20,21)18-14-8-3-9-16-14/h2,6-7,10-11H,1,3-5,8-9H2,(H,16,18)(H,17,19).
What are the key properties of N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]cyclobutanecarboxamide?
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]cyclobutanecarboxamide has a molecular weight of 321.40 g/mol, XLogP of 1.90, 4 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]cyclobutanecarboxamide is sourced from PubChem (CID 3351089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).