5-amino-N-[4-(cyanomethyl)phenyl]-1H-pyrazole-4-sulfonamide

C11H11N5O2S — CID 55056893

IUPAC5-amino-N-[4-(cyanomethyl)phenyl]-1H-pyrazole-4-sulfonamide
SMILESN#CCc1ccc(NS(=O)(=O)c2cn[nH]c2N)cc1
InChIInChI=1S/C11H11N5O2S/c12-6-5-8-1-3-9(4-2-8)16-19(17,18)10-7-14-15-11(10)13/h1-4,7,16H,5H2,(H3,13,14,15)
InChIKeyHICUEEIPZKJNPE-UHFFFAOYSA-N
MW277.31 g/mol
LogP0.86
Rot. Bonds4

About 5-amino-N-[4-(cyanomethyl)phenyl]-1H-pyrazole-4-sulfonamide

5-amino-N-[4-(cyanomethyl)phenyl]-1H-pyrazole-4-sulfonamide (PubChem CID 55056893) has the molecular formula C11H11N5O2S and a molecular weight of 277.31 g/mol. Its IUPAC name is 5-amino-N-[4-(cyanomethyl)phenyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-[4-(cyanomethyl)phenyl]-1H-pyrazole-4-sulfonamide
PubChem CID55056893
Molecular FormulaC11H11N5O2S
Molecular Weight277.31 g/mol
Exact Mass277.06
IUPAC Name5-amino-N-[4-(cyanomethyl)phenyl]-1H-pyrazole-4-sulfonamide
SMILESN#CCc1ccc(NS(=O)(=O)c2cn[nH]c2N)cc1
InChIInChI=1S/C11H11N5O2S/c12-6-5-8-1-3-9(4-2-8)16-19(17,18)10-7-14-15-11(10)13/h1-4,7,16H,5H2,(H3,13,14,15)
InChIKeyHICUEEIPZKJNPE-UHFFFAOYSA-N
XLogP0.86
TPSA124.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-(4-chlorophenyl)-1H-pyrazole-4-sulfonamide
CID 60812866
5-amino-N-phenyl-1H-pyrazole-4-sulfonamide
CID 60812703
5-amino-N-(4-ethoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 60810401
4-amino-N-[4-(cyanomethyl)phenyl]benzenesulfonamide
CID 62057983
N-[4-(cyanomethyl)phenyl]-2-hydrazinylpyridine-3-sulfonamide
CID 62301529
5-amino-N-naphthalen-2-yl-1H-pyrazole-4-sulfonamide
CID 61112730
2,5-dichloro-N-[4-(cyanomethyl)phenyl]benzenesulfonamide
CID 3841445
3-[[4-(cyanomethyl)phenyl]sulfamoyl]thiophene-2-carboxylic acid
CID 43426242
N-[4-(cyanomethyl)phenyl]-6-hydrazinylpyridine-3-sulfonamide
CID 62301362
5-amino-N-(3,5-dimethylphenyl)-1H-pyrazole-4-sulfonamide
CID 60815176
4-tert-butyl-N-[4-(cyanomethyl)phenyl]benzenesulfonamide
CID 25036783
3-amino-4-bromo-N-[4-(cyanomethyl)phenyl]benzenesulfonamide
CID 115329223

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[4-(cyanomethyl)phenyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-[4-(cyanomethyl)phenyl]-1H-pyrazole-4-sulfonamide (CID 55056893) is 5-amino-N-[4-(cyanomethyl)phenyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-[4-(cyanomethyl)phenyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-[4-(cyanomethyl)phenyl]-1H-pyrazole-4-sulfonamide is N#CCc1ccc(NS(=O)(=O)c2cn[nH]c2N)cc1.
What is the InChIKey of 5-amino-N-[4-(cyanomethyl)phenyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is HICUEEIPZKJNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2S/c12-6-5-8-1-3-9(4-2-8)16-19(17,18)10-7-14-15-11(10)13/h1-4,7,16H,5H2,(H3,13,14,15).
What are the key properties of 5-amino-N-[4-(cyanomethyl)phenyl]-1H-pyrazole-4-sulfonamide?
5-amino-N-[4-(cyanomethyl)phenyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 277.31 g/mol, XLogP of 0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[4-(cyanomethyl)phenyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 55056893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).