N-[1-(cyanomethyl)pyrazol-3-yl]-4-ethoxybenzenesulfonamide

C13H14N4O3S — CID 110281530

IUPACN-[1-(cyanomethyl)pyrazol-3-yl]-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccn(CC#N)n2)cc1
InChIInChI=1S/C13H14N4O3S/c1-2-20-11-3-5-12(6-4-11)21(18,19)16-13-7-9-17(15-13)10-8-14/h3-7,9H,2,10H2,1H3,(H,15,16)
InChIKeyBBGNHURIAPQJKW-UHFFFAOYSA-N
MW306.35 g/mol
LogP1.61
Rot. Bonds6

About N-[1-(cyanomethyl)pyrazol-3-yl]-4-ethoxybenzenesulfonamide

N-[1-(cyanomethyl)pyrazol-3-yl]-4-ethoxybenzenesulfonamide (PubChem CID 110281530) has the molecular formula C13H14N4O3S and a molecular weight of 306.35 g/mol. Its IUPAC name is N-[1-(cyanomethyl)pyrazol-3-yl]-4-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(cyanomethyl)pyrazol-3-yl]-4-ethoxybenzenesulfonamide
PubChem CID110281530
Molecular FormulaC13H14N4O3S
Molecular Weight306.35 g/mol
Exact Mass306.08
IUPAC NameN-[1-(cyanomethyl)pyrazol-3-yl]-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccn(CC#N)n2)cc1
InChIInChI=1S/C13H14N4O3S/c1-2-20-11-3-5-12(6-4-11)21(18,19)16-13-7-9-17(15-13)10-8-14/h3-7,9H,2,10H2,1H3,(H,15,16)
InChIKeyBBGNHURIAPQJKW-UHFFFAOYSA-N
XLogP1.61
TPSA97.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(cyanomethyl)pyrazol-3-yl]-4-ethoxybenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-(1-ethylpyrazol-3-yl)benzenesulfonamide
CID 22209166
4-methyl-N-(1-propylpyrazol-3-yl)benzenesulfonamide
CID 53017323
N-(5-bromopyrazin-2-yl)-4-ethoxybenzenesulfonamide
CID 115693688
4-ethoxy-N-(1-ethyl-3-methylpyrazol-4-yl)benzenesulfonamide
CID 22209222
N-(6-chloro-2-pyridinyl)-4-ethoxybenzenesulfonamide
CID 104821273
N-(6-bromo-2-pyridinyl)-4-ethoxybenzenesulfonamide
CID 115631079
4-[(4-ethoxyphenyl)sulfonylamino]-N-pyridin-2-ylbenzenesulfonamide
CID 92674441
2-(4-bromophenoxy)-N-[1-(cyanomethyl)pyrazol-3-yl]acetamide
CID 95754718
4-ethoxy-N-(6-pyrrolidin-1-ylpyridazin-3-yl)benzenesulfonamide
CID 113038808
N-(4,6-dimethylpyrimidin-2-yl)-4-ethoxybenzenesulfonamide
CID 22202469
4-methoxy-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzenesulfonamide
CID 17022744
N-[6-(cyclopropylamino)pyridazin-3-yl]-4-ethoxybenzenesulfonamide
CID 113038166

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyanomethyl)pyrazol-3-yl]-4-ethoxybenzenesulfonamide?
The IUPAC name of N-[1-(cyanomethyl)pyrazol-3-yl]-4-ethoxybenzenesulfonamide (CID 110281530) is N-[1-(cyanomethyl)pyrazol-3-yl]-4-ethoxybenzenesulfonamide.
What is the SMILES notation for N-[1-(cyanomethyl)pyrazol-3-yl]-4-ethoxybenzenesulfonamide?
The canonical SMILES for N-[1-(cyanomethyl)pyrazol-3-yl]-4-ethoxybenzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2ccn(CC#N)n2)cc1.
What is the InChIKey of N-[1-(cyanomethyl)pyrazol-3-yl]-4-ethoxybenzenesulfonamide?
The InChIKey is BBGNHURIAPQJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3S/c1-2-20-11-3-5-12(6-4-11)21(18,19)16-13-7-9-17(15-13)10-8-14/h3-7,9H,2,10H2,1H3,(H,15,16).
What are the key properties of N-[1-(cyanomethyl)pyrazol-3-yl]-4-ethoxybenzenesulfonamide?
N-[1-(cyanomethyl)pyrazol-3-yl]-4-ethoxybenzenesulfonamide has a molecular weight of 306.35 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyanomethyl)pyrazol-3-yl]-4-ethoxybenzenesulfonamide is sourced from PubChem (CID 110281530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).