N-[4-(propylsulfamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

C18H26ClN5O3S — CID 120923921

IUPACN-[4-(propylsulfamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCCCNS(=O)(=O)c1ccc(NC(=O)C2(n3cccn3)CCNCC2)cc1.Cl
InChIInChI=1S/C18H25N5O3S.ClH/c1-2-10-21-27(25,26)16-6-4-15(5-7-16)22-17(24)18(8-12-19-13-9-18)23-14-3-11-20-23;/h3-7,11,14,19,21H,2,8-10,12-13H2,1H3,(H,22,24);1H
InChIKeyXUEJLXLFAKDQDI-UHFFFAOYSA-N
MW427.96 g/mol
LogP1.71
Rot. Bonds7

About N-[4-(propylsulfamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

N-[4-(propylsulfamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120923921) has the molecular formula C18H26ClN5O3S and a molecular weight of 427.96 g/mol. Its IUPAC name is N-[4-(propylsulfamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(propylsulfamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
PubChem CID120923921
Molecular FormulaC18H26ClN5O3S
Molecular Weight427.96 g/mol
Exact Mass427.14
IUPAC NameN-[4-(propylsulfamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCCCNS(=O)(=O)c1ccc(NC(=O)C2(n3cccn3)CCNCC2)cc1.Cl
InChIInChI=1S/C18H25N5O3S.ClH/c1-2-10-21-27(25,26)16-6-4-15(5-7-16)22-17(24)18(8-12-19-13-9-18)23-14-3-11-20-23;/h3-7,11,14,19,21H,2,8-10,12-13H2,1H3,(H,22,24);1H
InChIKeyXUEJLXLFAKDQDI-UHFFFAOYSA-N
XLogP1.71
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.96
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(propylsulfamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[4-(propylsulfamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (CID 120923921) is N-[4-(propylsulfamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(propylsulfamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(propylsulfamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is CCCNS(=O)(=O)c1ccc(NC(=O)C2(n3cccn3)CCNCC2)cc1.Cl.
What is the InChIKey of N-[4-(propylsulfamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is XUEJLXLFAKDQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3S.ClH/c1-2-10-21-27(25,26)16-6-4-15(5-7-16)22-17(24)18(8-12-19-13-9-18)23-14-3-11-20-23;/h3-7,11,14,19,21H,2,8-10,12-13H2,1H3,(H,22,24);1H.
What are the key properties of N-[4-(propylsulfamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
N-[4-(propylsulfamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 427.96 g/mol, XLogP of 1.71, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(propylsulfamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120923921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).