3-phenyl-1-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazole-4-sulfonamide

C18H20N4O2S — CID 42285555

IUPAC3-phenyl-1-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazole-4-sulfonamide
SMILESCC(C)n1cc(S(=O)(=O)NCc2ccccn2)c(-c2ccccc2)n1
InChIInChI=1S/C18H20N4O2S/c1-14(2)22-13-17(18(21-22)15-8-4-3-5-9-15)25(23,24)20-12-16-10-6-7-11-19-16/h3-11,13-14,20H,12H2,1-2H3
InChIKeyXTQVWFVJBXIFKY-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.00
Rot. Bonds6

About 3-phenyl-1-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazole-4-sulfonamide

3-phenyl-1-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazole-4-sulfonamide (PubChem CID 42285555) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 3-phenyl-1-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-phenyl-1-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazole-4-sulfonamide
PubChem CID42285555
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name3-phenyl-1-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazole-4-sulfonamide
SMILESCC(C)n1cc(S(=O)(=O)NCc2ccccn2)c(-c2ccccc2)n1
InChIInChI=1S/C18H20N4O2S/c1-14(2)22-13-17(18(21-22)15-8-4-3-5-9-15)25(23,24)20-12-16-10-6-7-11-19-16/h3-11,13-14,20H,12H2,1-2H3
InChIKeyXTQVWFVJBXIFKY-UHFFFAOYSA-N
XLogP3.00
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-3-phenyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42346407
3-phenyl-N-(2-phenylethyl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 42346454
N-[2-(dimethylamino)ethyl]-3-phenyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42346316
3-phenyl-1-propan-2-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-sulfonamide
CID 42346810
N-(2-ethoxyphenyl)-3-phenyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42284907
N-(3-methoxyphenyl)-3-phenyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42284905
3-phenyl-1-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide
CID 42284900
4-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 731623
1-ethylsulfonyl-N-(pyridin-2-ylmethyl)propan-2-amine
CID 115626100
5-chloro-2-fluoro-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 110759353
4-bromo-2-ethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 25041295
2-dodecyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 20566512

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazole-4-sulfonamide?
The IUPAC name of 3-phenyl-1-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazole-4-sulfonamide (CID 42285555) is 3-phenyl-1-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3-phenyl-1-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 3-phenyl-1-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazole-4-sulfonamide is CC(C)n1cc(S(=O)(=O)NCc2ccccn2)c(-c2ccccc2)n1.
What is the InChIKey of 3-phenyl-1-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazole-4-sulfonamide?
The InChIKey is XTQVWFVJBXIFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-14(2)22-13-17(18(21-22)15-8-4-3-5-9-15)25(23,24)20-12-16-10-6-7-11-19-16/h3-11,13-14,20H,12H2,1-2H3.
What are the key properties of 3-phenyl-1-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazole-4-sulfonamide?
3-phenyl-1-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazole-4-sulfonamide has a molecular weight of 356.45 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 42285555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).