N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propane-1-sulfonamide

C16H23N3O2S — CID 47071864

IUPACN-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCc1ccc(-n2nc(C)cc2C)cc1
InChIInChI=1S/C16H23N3O2S/c1-4-11-22(20,21)17-10-9-15-5-7-16(8-6-15)19-14(3)12-13(2)18-19/h5-8,12,17H,4,9-11H2,1-3H3
InChIKeyTXHWDXAWGRNHDK-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.36
Rot. Bonds7

About N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propane-1-sulfonamide

N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propane-1-sulfonamide (PubChem CID 47071864) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propane-1-sulfonamide
PubChem CID47071864
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC NameN-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCc1ccc(-n2nc(C)cc2C)cc1
InChIInChI=1S/C16H23N3O2S/c1-4-11-22(20,21)17-10-9-15-5-7-16(8-6-15)19-14(3)12-13(2)18-19/h5-8,12,17H,4,9-11H2,1-3H3
InChIKeyTXHWDXAWGRNHDK-UHFFFAOYSA-N
XLogP2.36
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-1-(4-fluorophenyl)methanesulfonamide
CID 55906754
1-(3,4-dichlorophenyl)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]methanesulfonamide
CID 56581950
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 55905718
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3,4-diethoxybenzenesulfonamide
CID 55905205
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methyl-5-methylsulfonylbenzamide
CID 55707242
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 46476584
3-(2-chlorophenyl)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propanamide
CID 55707001
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 55707293
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
CID 46466291
N-[(1S)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methoxyethanesulfonamide
CID 97004108
N-[(1R)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methoxyethanesulfonamide
CID 97004107
4-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 41412823

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propane-1-sulfonamide?
The IUPAC name of N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propane-1-sulfonamide (CID 47071864) is N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propane-1-sulfonamide is CCCS(=O)(=O)NCCc1ccc(-n2nc(C)cc2C)cc1.
What is the InChIKey of N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propane-1-sulfonamide?
The InChIKey is TXHWDXAWGRNHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-4-11-22(20,21)17-10-9-15-5-7-16(8-6-15)19-14(3)12-13(2)18-19/h5-8,12,17H,4,9-11H2,1-3H3.
What are the key properties of N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propane-1-sulfonamide?
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propane-1-sulfonamide has a molecular weight of 321.45 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propane-1-sulfonamide is sourced from PubChem (CID 47071864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).