2-hydrazinyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide

C13H19N5O2S — CID 79232961

IUPAC2-hydrazinyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide
SMILESCc1nn(C)c(C)c1CNS(=O)(=O)c1ccccc1NN
InChIInChI=1S/C13H19N5O2S/c1-9-11(10(2)18(3)17-9)8-15-21(19,20)13-7-5-4-6-12(13)16-14/h4-7,15-16H,8,14H2,1-3H3
InChIKeyWDUGMKOBDDMPOD-UHFFFAOYSA-N
MW309.39 g/mol
LogP0.80
Rot. Bonds5

About 2-hydrazinyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide

2-hydrazinyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide (PubChem CID 79232961) has the molecular formula C13H19N5O2S and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-hydrazinyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-hydrazinyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide
PubChem CID79232961
Molecular FormulaC13H19N5O2S
Molecular Weight309.39 g/mol
Exact Mass309.13
IUPAC Name2-hydrazinyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide
SMILESCc1nn(C)c(C)c1CNS(=O)(=O)c1ccccc1NN
InChIInChI=1S/C13H19N5O2S/c1-9-11(10(2)18(3)17-9)8-15-21(19,20)13-7-5-4-6-12(13)16-14/h4-7,15-16H,8,14H2,1-3H3
InChIKeyWDUGMKOBDDMPOD-UHFFFAOYSA-N
XLogP0.80
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-hydrazinylbenzenesulfonamide
CID 43454886
3-amino-1,5-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide
CID 105359075
N-ethyl-2-hydrazinylbenzenesulfonamide
CID 43454365
5-(aminomethyl)-2-bromo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-3-sulfonamide
CID 106069840
2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-3-amine
CID 79042080
2-hydrazinyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide
CID 106401506
N-[4-[(1,3,5-trimethylpyrazol-4-yl)methylsulfamoyl]phenyl]acetamide
CID 22209486
2-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline
CID 43718106
2-cyano-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 9191234
1-(3-aminophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanesulfonamide
CID 79223738
1-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide
CID 71688277
2-hydrazinyl-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 43454817

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-hydrazinyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide (CID 79232961) is 2-hydrazinyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-hydrazinyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-hydrazinyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide is Cc1nn(C)c(C)c1CNS(=O)(=O)c1ccccc1NN.
What is the InChIKey of 2-hydrazinyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is WDUGMKOBDDMPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-9-11(10(2)18(3)17-9)8-15-21(19,20)13-7-5-4-6-12(13)16-14/h4-7,15-16H,8,14H2,1-3H3.
What are the key properties of 2-hydrazinyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide?
2-hydrazinyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 309.39 g/mol, XLogP of 0.80, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 79232961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).