N-[1-(2-phenylethyl)pyrazol-4-yl]propane-2-sulfonamide

C14H19N3O2S — CID 95744737

IUPACN-[1-(2-phenylethyl)pyrazol-4-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1cnn(CCc2ccccc2)c1
InChIInChI=1S/C14H19N3O2S/c1-12(2)20(18,19)16-14-10-15-17(11-14)9-8-13-6-4-3-5-7-13/h3-7,10-12,16H,8-9H2,1-2H3
InChIKeyKYEJXDOHZDYRBG-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.28
Rot. Bonds6

About N-[1-(2-phenylethyl)pyrazol-4-yl]propane-2-sulfonamide

N-[1-(2-phenylethyl)pyrazol-4-yl]propane-2-sulfonamide (PubChem CID 95744737) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-[1-(2-phenylethyl)pyrazol-4-yl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(2-phenylethyl)pyrazol-4-yl]propane-2-sulfonamide
PubChem CID95744737
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN-[1-(2-phenylethyl)pyrazol-4-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1cnn(CCc2ccccc2)c1
InChIInChI=1S/C14H19N3O2S/c1-12(2)20(18,19)16-14-10-15-17(11-14)9-8-13-6-4-3-5-7-13/h3-7,10-12,16H,8-9H2,1-2H3
InChIKeyKYEJXDOHZDYRBG-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-phenylethyl)pyrazol-4-yl]propane-2-sulfonamide?
The IUPAC name of N-[1-(2-phenylethyl)pyrazol-4-yl]propane-2-sulfonamide (CID 95744737) is N-[1-(2-phenylethyl)pyrazol-4-yl]propane-2-sulfonamide.
What is the SMILES notation for N-[1-(2-phenylethyl)pyrazol-4-yl]propane-2-sulfonamide?
The canonical SMILES for N-[1-(2-phenylethyl)pyrazol-4-yl]propane-2-sulfonamide is CC(C)S(=O)(=O)Nc1cnn(CCc2ccccc2)c1.
What is the InChIKey of N-[1-(2-phenylethyl)pyrazol-4-yl]propane-2-sulfonamide?
The InChIKey is KYEJXDOHZDYRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-12(2)20(18,19)16-14-10-15-17(11-14)9-8-13-6-4-3-5-7-13/h3-7,10-12,16H,8-9H2,1-2H3.
What are the key properties of N-[1-(2-phenylethyl)pyrazol-4-yl]propane-2-sulfonamide?
N-[1-(2-phenylethyl)pyrazol-4-yl]propane-2-sulfonamide has a molecular weight of 293.39 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-phenylethyl)pyrazol-4-yl]propane-2-sulfonamide is sourced from PubChem (CID 95744737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).