N-(4-cyano-1-methylpyrazol-3-yl)-4-propylbenzenesulfonamide

C14H16N4O2S — CID 115688297

IUPACN-(4-cyano-1-methylpyrazol-3-yl)-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)Nc2nn(C)cc2C#N)cc1
InChIInChI=1S/C14H16N4O2S/c1-3-4-11-5-7-13(8-6-11)21(19,20)17-14-12(9-15)10-18(2)16-14/h5-8,10H,3-4H2,1-2H3,(H,16,17)
InChIKeyFOLUDEWKQFERBG-UHFFFAOYSA-N
MW304.38 g/mol
LogP2.05
Rot. Bonds5

About N-(4-cyano-1-methylpyrazol-3-yl)-4-propylbenzenesulfonamide

N-(4-cyano-1-methylpyrazol-3-yl)-4-propylbenzenesulfonamide (PubChem CID 115688297) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is N-(4-cyano-1-methylpyrazol-3-yl)-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-cyano-1-methylpyrazol-3-yl)-4-propylbenzenesulfonamide
PubChem CID115688297
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC NameN-(4-cyano-1-methylpyrazol-3-yl)-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)Nc2nn(C)cc2C#N)cc1
InChIInChI=1S/C14H16N4O2S/c1-3-4-11-5-7-13(8-6-11)21(19,20)17-14-12(9-15)10-18(2)16-14/h5-8,10H,3-4H2,1-2H3,(H,16,17)
InChIKeyFOLUDEWKQFERBG-UHFFFAOYSA-N
XLogP2.05
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-cyano-1-methylpyrazol-3-yl)-4-pentoxybenzenesulfonamide
CID 127266514
5-cyano-N-(4-cyano-1-methylpyrazol-3-yl)thiophene-2-sulfonamide
CID 106266826
N-(4-cyano-1-methylpyrazol-3-yl)-1-phenylmethanesulfonamide
CID 112547621
N-[4-(cyanomethyl)phenyl]-4-propylbenzenesulfonamide
CID 25042511
N-(1-benzyl-4-chloropyrazol-3-yl)-4-propylbenzenesulfonamide
CID 22207169
N-(4-cyano-1-methylpyrazol-3-yl)-4-ethylbenzamide
CID 115672371
N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-propylbenzenesulfonamide
CID 22201819
ethyl 2-[(4-cyano-1-methylpyrazol-3-yl)sulfamoyl]acetate
CID 104593262
N-(3-ethyl-1-methylpyrazol-4-yl)-4-(2-hydroxyethyl)benzenesulfonamide
CID 106000585
N-iodo-4-propylbenzenesulfonamide
CID 143564822
N-(4-ethylphenyl)-4-propylbenzenesulfonamide
CID 22773839
N-(2-cyanopropan-2-yl)-4-propylbenzenesulfonamide
CID 61126681

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-methylpyrazol-3-yl)-4-propylbenzenesulfonamide?
The IUPAC name of N-(4-cyano-1-methylpyrazol-3-yl)-4-propylbenzenesulfonamide (CID 115688297) is N-(4-cyano-1-methylpyrazol-3-yl)-4-propylbenzenesulfonamide.
What is the SMILES notation for N-(4-cyano-1-methylpyrazol-3-yl)-4-propylbenzenesulfonamide?
The canonical SMILES for N-(4-cyano-1-methylpyrazol-3-yl)-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)Nc2nn(C)cc2C#N)cc1.
What is the InChIKey of N-(4-cyano-1-methylpyrazol-3-yl)-4-propylbenzenesulfonamide?
The InChIKey is FOLUDEWKQFERBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-3-4-11-5-7-13(8-6-11)21(19,20)17-14-12(9-15)10-18(2)16-14/h5-8,10H,3-4H2,1-2H3,(H,16,17).
What are the key properties of N-(4-cyano-1-methylpyrazol-3-yl)-4-propylbenzenesulfonamide?
N-(4-cyano-1-methylpyrazol-3-yl)-4-propylbenzenesulfonamide has a molecular weight of 304.38 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-methylpyrazol-3-yl)-4-propylbenzenesulfonamide is sourced from PubChem (CID 115688297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).