N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]pyrrolidine-1-carboxamide

C16H23N3O4S — CID 6457773

IUPACN-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)NCC2CCCO2)cc1)N1CCCC1
InChIInChI=1S/C16H23N3O4S/c20-16(19-9-1-2-10-19)18-13-5-7-15(8-6-13)24(21,22)17-12-14-4-3-11-23-14/h5-8,14,17H,1-4,9-12H2,(H,18,20)
InChIKeyAQDTXDJLBYJCRY-UHFFFAOYSA-N
MW353.44 g/mol
LogP1.77
Rot. Bonds5

About N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]pyrrolidine-1-carboxamide

N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]pyrrolidine-1-carboxamide (PubChem CID 6457773) has the molecular formula C16H23N3O4S and a molecular weight of 353.44 g/mol. Its IUPAC name is N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]pyrrolidine-1-carboxamide
PubChem CID6457773
Molecular FormulaC16H23N3O4S
Molecular Weight353.44 g/mol
Exact Mass353.14
IUPAC NameN-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)NCC2CCCO2)cc1)N1CCCC1
InChIInChI=1S/C16H23N3O4S/c20-16(19-9-1-2-10-19)18-13-5-7-15(8-6-13)24(21,22)17-12-14-4-3-11-23-14/h5-8,14,17H,1-4,9-12H2,(H,18,20)
InChIKeyAQDTXDJLBYJCRY-UHFFFAOYSA-N
XLogP1.77
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]pyrrolidine-1-carboxamide (CID 6457773) is N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]pyrrolidine-1-carboxamide is O=C(Nc1ccc(S(=O)(=O)NCC2CCCO2)cc1)N1CCCC1.
What is the InChIKey of N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is AQDTXDJLBYJCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4S/c20-16(19-9-1-2-10-19)18-13-5-7-15(8-6-13)24(21,22)17-12-14-4-3-11-23-14/h5-8,14,17H,1-4,9-12H2,(H,18,20).
What are the key properties of N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]pyrrolidine-1-carboxamide?
N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 353.44 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 6457773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).