N-[2-(4-aminopyrazol-1-yl)ethyl]-4-methylbenzenesulfonamide

C12H16N4O2S — CID 115319861

IUPACN-[2-(4-aminopyrazol-1-yl)ethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCn2cc(N)cn2)cc1
InChIInChI=1S/C12H16N4O2S/c1-10-2-4-12(5-3-10)19(17,18)15-6-7-16-9-11(13)8-14-16/h2-5,8-9,15H,6-7,13H2,1H3
InChIKeyYMELHLVIRMQIKC-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.75
Rot. Bonds5

About N-[2-(4-aminopyrazol-1-yl)ethyl]-4-methylbenzenesulfonamide

N-[2-(4-aminopyrazol-1-yl)ethyl]-4-methylbenzenesulfonamide (PubChem CID 115319861) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-[2-(4-aminopyrazol-1-yl)ethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-aminopyrazol-1-yl)ethyl]-4-methylbenzenesulfonamide
PubChem CID115319861
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC NameN-[2-(4-aminopyrazol-1-yl)ethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCn2cc(N)cn2)cc1
InChIInChI=1S/C12H16N4O2S/c1-10-2-4-12(5-3-10)19(17,18)15-6-7-16-9-11(13)8-14-16/h2-5,8-9,15H,6-7,13H2,1H3
InChIKeyYMELHLVIRMQIKC-UHFFFAOYSA-N
XLogP0.75
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-aminopyrazol-1-yl)ethyl]-1-methylpyrazole-4-sulfonamide
CID 113285935
N-[2-(4-aminopyrazol-1-yl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 115319875
4-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]benzenesulfonamide
CID 15668303
N-[2-(4-aminopyrazol-1-yl)ethyl]propane-1-sulfonamide
CID 115319872
N-[2-(4-aminopyrazol-1-yl)ethyl]-4-cyano-2-methylbenzenesulfonamide
CID 106996486
N-[2-(4-aminopyrazol-1-yl)ethyl]-1H-imidazole-5-sulfonamide
CID 115319829
N-[2-(4-aminopyrazol-1-yl)ethyl]-1,1-difluoromethanesulfonamide
CID 115319879
N-[2-(4-bromopyrazol-1-yl)ethyl]-4-fluorobenzenesulfonamide
CID 22208753
N-[2-(4-aminopyrazol-1-yl)ethyl]-2-cyanopyridine-3-sulfonamide
CID 106593209
ethyl 3-[2-(4-aminopyrazol-1-yl)ethylsulfamoyl]propanoate
CID 115319868
N-(2-aminoethyl)-4-methylbenzenesulfonamide;hydrochloride
CID 42943458
N-[2-(4-aminopyrazol-1-yl)ethyl]-2-methylsulfonylacetamide
CID 115319573

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminopyrazol-1-yl)ethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-(4-aminopyrazol-1-yl)ethyl]-4-methylbenzenesulfonamide (CID 115319861) is N-[2-(4-aminopyrazol-1-yl)ethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(4-aminopyrazol-1-yl)ethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(4-aminopyrazol-1-yl)ethyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCCn2cc(N)cn2)cc1.
What is the InChIKey of N-[2-(4-aminopyrazol-1-yl)ethyl]-4-methylbenzenesulfonamide?
The InChIKey is YMELHLVIRMQIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-10-2-4-12(5-3-10)19(17,18)15-6-7-16-9-11(13)8-14-16/h2-5,8-9,15H,6-7,13H2,1H3.
What are the key properties of N-[2-(4-aminopyrazol-1-yl)ethyl]-4-methylbenzenesulfonamide?
N-[2-(4-aminopyrazol-1-yl)ethyl]-4-methylbenzenesulfonamide has a molecular weight of 280.35 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminopyrazol-1-yl)ethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 115319861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).