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

C13H15N5O2S — CID 106996486

IUPACN-[2-(4-aminopyrazol-1-yl)ethyl]-4-cyano-2-methylbenzenesulfonamide
SMILESCc1cc(C#N)ccc1S(=O)(=O)NCCn1cc(N)cn1
InChIInChI=1S/C13H15N5O2S/c1-10-6-11(7-14)2-3-13(10)21(19,20)17-4-5-18-9-12(15)8-16-18/h2-3,6,8-9,17H,4-5,15H2,1H3
InChIKeyLSBYABMINLMHED-UHFFFAOYSA-N
MW305.36 g/mol
LogP0.62
Rot. Bonds5

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

N-[2-(4-aminopyrazol-1-yl)ethyl]-4-cyano-2-methylbenzenesulfonamide (PubChem CID 106996486) has the molecular formula C13H15N5O2S and a molecular weight of 305.36 g/mol. Its IUPAC name is N-[2-(4-aminopyrazol-1-yl)ethyl]-4-cyano-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-aminopyrazol-1-yl)ethyl]-4-cyano-2-methylbenzenesulfonamide
PubChem CID106996486
Molecular FormulaC13H15N5O2S
Molecular Weight305.36 g/mol
Exact Mass305.09
IUPAC NameN-[2-(4-aminopyrazol-1-yl)ethyl]-4-cyano-2-methylbenzenesulfonamide
SMILESCc1cc(C#N)ccc1S(=O)(=O)NCCn1cc(N)cn1
InChIInChI=1S/C13H15N5O2S/c1-10-6-11(7-14)2-3-13(10)21(19,20)17-4-5-18-9-12(15)8-16-18/h2-3,6,8-9,17H,4-5,15H2,1H3
InChIKeyLSBYABMINLMHED-UHFFFAOYSA-N
XLogP0.62
TPSA113.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-aminopyrazol-1-yl)ethyl]-2-cyanopyridine-3-sulfonamide
CID 106593209
4-cyano-N-(2-iodoethyl)-2-methylbenzenesulfonamide
CID 106442162
N-(2-bromoethyl)-4-cyano-2-methylbenzenesulfonamide
CID 106998772
N-[2-(4-aminopyrazol-1-yl)ethyl]-4-methylbenzenesulfonamide
CID 115319861
N-(3-chloropropyl)-4-cyano-2-methylbenzenesulfonamide
CID 106998775
4-cyano-N-(4-hydroxybutyl)-2-methylbenzenesulfonamide
CID 106997450
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
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-5-cyano-2-methylbenzenesulfonamide
CID 79529154
N-(5-amino-3-methyl-2-pyridinyl)-4-cyano-2-methylbenzenesulfonamide
CID 106996490
N-[2-(4-aminopyrazol-1-yl)ethyl]propane-1-sulfonamide
CID 115319872
4-cyano-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide
CID 106997265

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminopyrazol-1-yl)ethyl]-4-cyano-2-methylbenzenesulfonamide?
The IUPAC name of N-[2-(4-aminopyrazol-1-yl)ethyl]-4-cyano-2-methylbenzenesulfonamide (CID 106996486) is N-[2-(4-aminopyrazol-1-yl)ethyl]-4-cyano-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(4-aminopyrazol-1-yl)ethyl]-4-cyano-2-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(4-aminopyrazol-1-yl)ethyl]-4-cyano-2-methylbenzenesulfonamide is Cc1cc(C#N)ccc1S(=O)(=O)NCCn1cc(N)cn1.
What is the InChIKey of N-[2-(4-aminopyrazol-1-yl)ethyl]-4-cyano-2-methylbenzenesulfonamide?
The InChIKey is LSBYABMINLMHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2S/c1-10-6-11(7-14)2-3-13(10)21(19,20)17-4-5-18-9-12(15)8-16-18/h2-3,6,8-9,17H,4-5,15H2,1H3.
What are the key properties of N-[2-(4-aminopyrazol-1-yl)ethyl]-4-cyano-2-methylbenzenesulfonamide?
N-[2-(4-aminopyrazol-1-yl)ethyl]-4-cyano-2-methylbenzenesulfonamide has a molecular weight of 305.36 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminopyrazol-1-yl)ethyl]-4-cyano-2-methylbenzenesulfonamide is sourced from PubChem (CID 106996486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).