4-propyl-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide

C19H21N3O2S — CID 22205150

IUPAC4-propyl-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCc2ccc(-n3cccn3)cc2)cc1
InChIInChI=1S/C19H21N3O2S/c1-2-4-16-7-11-19(12-8-16)25(23,24)21-15-17-5-9-18(10-6-17)22-14-3-13-20-22/h3,5-14,21H,2,4,15H2,1H3
InChIKeyPOUKRPSGIJSYMV-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.30
Rot. Bonds7

About 4-propyl-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide

4-propyl-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide (PubChem CID 22205150) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 4-propyl-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-propyl-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide
PubChem CID22205150
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name4-propyl-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCc2ccc(-n3cccn3)cc2)cc1
InChIInChI=1S/C19H21N3O2S/c1-2-4-16-7-11-19(12-8-16)25(23,24)21-15-17-5-9-18(10-6-17)22-14-3-13-20-22/h3,5-14,21H,2,4,15H2,1H3
InChIKeyPOUKRPSGIJSYMV-UHFFFAOYSA-N
XLogP3.30
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-pyrazol-1-ylphenyl)methyl]thiophene-2-sulfonamide
CID 22205170
4-chloro-2,5-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide
CID 22205191
2,5-difluoro-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide
CID 22205165
4-(furan-2-ylmethylsulfamoyl)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 55699972
N-[(4-pyrazol-1-ylphenyl)methyl]quinoline-8-sulfonamide
CID 22205174
N-[4-[(4-propylphenyl)methylsulfamoyl]phenyl]acetamide
CID 110780438
2-[[4-(4-pyrazol-1-ylphenyl)phenyl]sulfonylamino]acetic acid
CID 167835860
4-pyrazol-1-yl-N-[(3-pyridin-4-ylpyrazin-2-yl)methyl]benzenesulfonamide
CID 126851727
N-hydroxy-4-[[(4-propylphenyl)sulfonylamino]methyl]benzamide
CID 87748545
N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 122246650
N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 122290051
N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 122352585

Frequently Asked Questions

What is the IUPAC name of 4-propyl-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-propyl-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide (CID 22205150) is 4-propyl-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-propyl-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-propyl-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide is CCCc1ccc(S(=O)(=O)NCc2ccc(-n3cccn3)cc2)cc1.
What is the InChIKey of 4-propyl-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide?
The InChIKey is POUKRPSGIJSYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-2-4-16-7-11-19(12-8-16)25(23,24)21-15-17-5-9-18(10-6-17)22-14-3-13-20-22/h3,5-14,21H,2,4,15H2,1H3.
What are the key properties of 4-propyl-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide?
4-propyl-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide has a molecular weight of 355.46 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 22205150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).