4-cyano-N-(4-cyano-1H-pyrazol-5-yl)-3-methylbenzenesulfonamide

C12H9N5O2S — CID 106919695

IUPAC4-cyano-N-(4-cyano-1H-pyrazol-5-yl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2[nH]ncc2C#N)ccc1C#N
InChIInChI=1S/C12H9N5O2S/c1-8-4-11(3-2-9(8)5-13)20(18,19)17-12-10(6-14)7-15-16-12/h2-4,7H,1H3,(H2,15,16,17)
InChIKeyFBYOZHPPQLINBS-UHFFFAOYSA-N
MW287.30 g/mol
LogP1.26
Rot. Bonds3

About 4-cyano-N-(4-cyano-1H-pyrazol-5-yl)-3-methylbenzenesulfonamide

4-cyano-N-(4-cyano-1H-pyrazol-5-yl)-3-methylbenzenesulfonamide (PubChem CID 106919695) has the molecular formula C12H9N5O2S and a molecular weight of 287.30 g/mol. Its IUPAC name is 4-cyano-N-(4-cyano-1H-pyrazol-5-yl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-(4-cyano-1H-pyrazol-5-yl)-3-methylbenzenesulfonamide
PubChem CID106919695
Molecular FormulaC12H9N5O2S
Molecular Weight287.30 g/mol
Exact Mass287.05
IUPAC Name4-cyano-N-(4-cyano-1H-pyrazol-5-yl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2[nH]ncc2C#N)ccc1C#N
InChIInChI=1S/C12H9N5O2S/c1-8-4-11(3-2-9(8)5-13)20(18,19)17-12-10(6-14)7-15-16-12/h2-4,7H,1H3,(H2,15,16,17)
InChIKeyFBYOZHPPQLINBS-UHFFFAOYSA-N
XLogP1.26
TPSA122.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-cyano-N-(4-cyano-1H-pyrazol-5-yl)pyridine-3-sulfonamide
CID 115897741
N-(4-cyano-1H-pyrazol-5-yl)-4-fluoro-3-nitrobenzenesulfonamide
CID 79497167
N-(4-cyano-1H-pyrazol-5-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107327642
N-(5-amino-2-pyridinyl)-4-cyano-3-methylbenzenesulfonamide
CID 106918913
3,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 113237180
4-cyano-N,3-dimethylbenzenesulfonamide
CID 106832880
4-cyano-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 106919709
2,5-dibromo-N-(4-cyano-1H-pyrazol-5-yl)-4-methylbenzenesulfonamide
CID 81327392
4-cyano-N-(3,4-dichlorophenyl)-3-methylbenzenesulfonamide
CID 106919707
N-(5-bromo-2-methylphenyl)-4-cyano-3-methylbenzenesulfonamide
CID 106831795
4-cyano-N-(2-iodophenyl)-3-methylbenzenesulfonamide
CID 106831745
4-cyano-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbenzenesulfonamide
CID 106919743

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(4-cyano-1H-pyrazol-5-yl)-3-methylbenzenesulfonamide?
The IUPAC name of 4-cyano-N-(4-cyano-1H-pyrazol-5-yl)-3-methylbenzenesulfonamide (CID 106919695) is 4-cyano-N-(4-cyano-1H-pyrazol-5-yl)-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-cyano-N-(4-cyano-1H-pyrazol-5-yl)-3-methylbenzenesulfonamide?
The canonical SMILES for 4-cyano-N-(4-cyano-1H-pyrazol-5-yl)-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2[nH]ncc2C#N)ccc1C#N.
What is the InChIKey of 4-cyano-N-(4-cyano-1H-pyrazol-5-yl)-3-methylbenzenesulfonamide?
The InChIKey is FBYOZHPPQLINBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5O2S/c1-8-4-11(3-2-9(8)5-13)20(18,19)17-12-10(6-14)7-15-16-12/h2-4,7H,1H3,(H2,15,16,17).
What are the key properties of 4-cyano-N-(4-cyano-1H-pyrazol-5-yl)-3-methylbenzenesulfonamide?
4-cyano-N-(4-cyano-1H-pyrazol-5-yl)-3-methylbenzenesulfonamide has a molecular weight of 287.30 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(4-cyano-1H-pyrazol-5-yl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 106919695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).