N-[1-(3-pyrazol-1-ylphenyl)ethyl]propane-1-sulfonamide

C14H19N3O2S — CID 71985562

IUPACN-[1-(3-pyrazol-1-ylphenyl)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC(C)c1cccc(-n2cccn2)c1
InChIInChI=1S/C14H19N3O2S/c1-3-10-20(18,19)16-12(2)13-6-4-7-14(11-13)17-9-5-8-15-17/h4-9,11-12,16H,3,10H2,1-2H3
InChIKeyPIVAHUOSYCYXAC-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.26
Rot. Bonds6

About N-[1-(3-pyrazol-1-ylphenyl)ethyl]propane-1-sulfonamide

N-[1-(3-pyrazol-1-ylphenyl)ethyl]propane-1-sulfonamide (PubChem CID 71985562) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-[1-(3-pyrazol-1-ylphenyl)ethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(3-pyrazol-1-ylphenyl)ethyl]propane-1-sulfonamide
PubChem CID71985562
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN-[1-(3-pyrazol-1-ylphenyl)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC(C)c1cccc(-n2cccn2)c1
InChIInChI=1S/C14H19N3O2S/c1-3-10-20(18,19)16-12(2)13-6-4-7-14(11-13)17-9-5-8-15-17/h4-9,11-12,16H,3,10H2,1-2H3
InChIKeyPIVAHUOSYCYXAC-UHFFFAOYSA-N
XLogP2.26
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-pyrazol-1-ylphenyl)ethyl]propane-1-sulfonamide?
The IUPAC name of N-[1-(3-pyrazol-1-ylphenyl)ethyl]propane-1-sulfonamide (CID 71985562) is N-[1-(3-pyrazol-1-ylphenyl)ethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[1-(3-pyrazol-1-ylphenyl)ethyl]propane-1-sulfonamide?
The canonical SMILES for N-[1-(3-pyrazol-1-ylphenyl)ethyl]propane-1-sulfonamide is CCCS(=O)(=O)NC(C)c1cccc(-n2cccn2)c1.
What is the InChIKey of N-[1-(3-pyrazol-1-ylphenyl)ethyl]propane-1-sulfonamide?
The InChIKey is PIVAHUOSYCYXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-3-10-20(18,19)16-12(2)13-6-4-7-14(11-13)17-9-5-8-15-17/h4-9,11-12,16H,3,10H2,1-2H3.
What are the key properties of N-[1-(3-pyrazol-1-ylphenyl)ethyl]propane-1-sulfonamide?
N-[1-(3-pyrazol-1-ylphenyl)ethyl]propane-1-sulfonamide has a molecular weight of 293.39 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-pyrazol-1-ylphenyl)ethyl]propane-1-sulfonamide is sourced from PubChem (CID 71985562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).