3-acetyl-N-[2-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide

C18H17N3O3S — CID 55645265

IUPAC3-acetyl-N-[2-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cn2cccn2)c1
InChIInChI=1S/C18H17N3O3S/c1-14(22)15-7-4-8-17(12-15)25(23,24)20-18-9-3-2-6-16(18)13-21-11-5-10-19-21/h2-12,20H,13H2,1H3
InChIKeyQJMQWCAQYPDAOK-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.93
Rot. Bonds6

About 3-acetyl-N-[2-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide

3-acetyl-N-[2-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide (PubChem CID 55645265) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is 3-acetyl-N-[2-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-[2-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
PubChem CID55645265
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC Name3-acetyl-N-[2-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cn2cccn2)c1
InChIInChI=1S/C18H17N3O3S/c1-14(22)15-7-4-8-17(12-15)25(23,24)20-18-9-3-2-6-16(18)13-21-11-5-10-19-21/h2-12,20H,13H2,1H3
InChIKeyQJMQWCAQYPDAOK-UHFFFAOYSA-N
XLogP2.93
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[2-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 46427546
3-acetyl-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]benzenesulfonamide
CID 36575327
ethyl 3-bromo-4-[[2-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzoate
CID 39844390
3-acetyl-N-(2-benzylsulfanylphenyl)benzenesulfonamide
CID 8824193
3-[[2-(hydroxymethyl)phenyl]sulfamoyl]benzoic acid
CID 43218183
3-acetyl-N-(2,3-difluorophenyl)benzenesulfonamide
CID 51089499
3-acetyl-N-(4-bromo-2-pyridinyl)benzenesulfonamide
CID 102671942
5-oxo-1-[4-[[2-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]phenyl]pyrrolidine-3-carboxylic acid
CID 55676614
3-acetyl-N-(2-phenoxyphenyl)benzenesulfonamide
CID 2451069
3-[(2-ethylphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide
CID 109063665
5-(ethylsulfamoyl)-2-fluoro-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 55932658
3-acetyl-N-(3-ethylpentan-3-yl)benzenesulfonamide
CID 65042547

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[2-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide?
The IUPAC name of 3-acetyl-N-[2-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide (CID 55645265) is 3-acetyl-N-[2-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-[2-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-[2-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cn2cccn2)c1.
What is the InChIKey of 3-acetyl-N-[2-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide?
The InChIKey is QJMQWCAQYPDAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-14(22)15-7-4-8-17(12-15)25(23,24)20-18-9-3-2-6-16(18)13-21-11-5-10-19-21/h2-12,20H,13H2,1H3.
What are the key properties of 3-acetyl-N-[2-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide?
3-acetyl-N-[2-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide has a molecular weight of 355.42 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-[2-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 55645265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).