1-(4-cyanophenyl)-N-(4-cyano-1H-pyrazol-5-yl)methanesulfonamide

C12H9N5O2S — CID 79503770

IUPAC1-(4-cyanophenyl)-N-(4-cyano-1H-pyrazol-5-yl)methanesulfonamide
SMILESN#Cc1ccc(CS(=O)(=O)Nc2[nH]ncc2C#N)cc1
InChIInChI=1S/C12H9N5O2S/c13-5-9-1-3-10(4-2-9)8-20(18,19)17-12-11(6-14)7-15-16-12/h1-4,7H,8H2,(H2,15,16,17)
InChIKeyHHQCYVOEIPCYQV-UHFFFAOYSA-N
MW287.30 g/mol
LogP1.09
Rot. Bonds4

About 1-(4-cyanophenyl)-N-(4-cyano-1H-pyrazol-5-yl)methanesulfonamide

1-(4-cyanophenyl)-N-(4-cyano-1H-pyrazol-5-yl)methanesulfonamide (PubChem CID 79503770) has the molecular formula C12H9N5O2S and a molecular weight of 287.30 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-N-(4-cyano-1H-pyrazol-5-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-cyanophenyl)-N-(4-cyano-1H-pyrazol-5-yl)methanesulfonamide
PubChem CID79503770
Molecular FormulaC12H9N5O2S
Molecular Weight287.30 g/mol
Exact Mass287.05
IUPAC Name1-(4-cyanophenyl)-N-(4-cyano-1H-pyrazol-5-yl)methanesulfonamide
SMILESN#Cc1ccc(CS(=O)(=O)Nc2[nH]ncc2C#N)cc1
InChIInChI=1S/C12H9N5O2S/c13-5-9-1-3-10(4-2-9)8-20(18,19)17-12-11(6-14)7-15-16-12/h1-4,7H,8H2,(H2,15,16,17)
InChIKeyHHQCYVOEIPCYQV-UHFFFAOYSA-N
XLogP1.09
TPSA122.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-cyanophenyl)-N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide
CID 63821706
1-(4-cyanophenyl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)methanesulfonamide
CID 115909173
1-(4-cyanophenyl)-N-(5-methyl-2-pyridinyl)methanesulfonamide
CID 29041806
1-(3-cyanophenyl)-N-(4-ethyl-1H-pyrazol-5-yl)methanesulfonamide
CID 104620961
N-(4-cyanophenyl)-1-phenylmethanesulfonamide
CID 798666
1-(4-cyanophenyl)-N-(2-hydroxyphenyl)methanesulfonamide
CID 29275128
1-(4-cyanophenyl)-N-isoquinolin-4-ylmethanesulfonamide
CID 75445357
1-(4-cyanophenyl)-N-[(6-methyl-3-pyridinyl)methyl]methanesulfonamide
CID 61067577
1-(4-cyanophenyl)-N-(6-methyl-2-pyridinyl)methanesulfonamide
CID 29049983
1-(4-cyanophenyl)-N-(1-methylpyrazol-3-yl)methanesulfonamide
CID 60703867
N-(5-amino-4-methyl-2-pyridinyl)-1-(4-cyanophenyl)methanesulfonamide
CID 61292986
6-cyano-N-(4-cyano-1H-pyrazol-5-yl)pyridine-3-sulfonamide
CID 115897741

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-N-(4-cyano-1H-pyrazol-5-yl)methanesulfonamide?
The IUPAC name of 1-(4-cyanophenyl)-N-(4-cyano-1H-pyrazol-5-yl)methanesulfonamide (CID 79503770) is 1-(4-cyanophenyl)-N-(4-cyano-1H-pyrazol-5-yl)methanesulfonamide.
What is the SMILES notation for 1-(4-cyanophenyl)-N-(4-cyano-1H-pyrazol-5-yl)methanesulfonamide?
The canonical SMILES for 1-(4-cyanophenyl)-N-(4-cyano-1H-pyrazol-5-yl)methanesulfonamide is N#Cc1ccc(CS(=O)(=O)Nc2[nH]ncc2C#N)cc1.
What is the InChIKey of 1-(4-cyanophenyl)-N-(4-cyano-1H-pyrazol-5-yl)methanesulfonamide?
The InChIKey is HHQCYVOEIPCYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5O2S/c13-5-9-1-3-10(4-2-9)8-20(18,19)17-12-11(6-14)7-15-16-12/h1-4,7H,8H2,(H2,15,16,17).
What are the key properties of 1-(4-cyanophenyl)-N-(4-cyano-1H-pyrazol-5-yl)methanesulfonamide?
1-(4-cyanophenyl)-N-(4-cyano-1H-pyrazol-5-yl)methanesulfonamide has a molecular weight of 287.30 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-N-(4-cyano-1H-pyrazol-5-yl)methanesulfonamide is sourced from PubChem (CID 79503770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).