4-cyano-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide

C16H14N4O3S — CID 75385748

IUPAC4-cyano-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide
SMILESCc1ccc(-c2[nH]nc(NS(=O)(=O)c3ccc(C#N)cc3)c2C)o1
InChIInChI=1S/C16H14N4O3S/c1-10-3-8-14(23-10)15-11(2)16(19-18-15)20-24(21,22)13-6-4-12(9-17)5-7-13/h3-8H,1-2H3,(H2,18,19,20)
InChIKeyAJVAJDGLWWDSCU-UHFFFAOYSA-N
MW342.38 g/mol
LogP2.96
Rot. Bonds4

About 4-cyano-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide

4-cyano-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide (PubChem CID 75385748) has the molecular formula C16H14N4O3S and a molecular weight of 342.38 g/mol. Its IUPAC name is 4-cyano-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide
PubChem CID75385748
Molecular FormulaC16H14N4O3S
Molecular Weight342.38 g/mol
Exact Mass342.08
IUPAC Name4-cyano-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide
SMILESCc1ccc(-c2[nH]nc(NS(=O)(=O)c3ccc(C#N)cc3)c2C)o1
InChIInChI=1S/C16H14N4O3S/c1-10-3-8-14(23-10)15-11(2)16(19-18-15)20-24(21,22)13-6-4-12(9-17)5-7-13/h3-8H,1-2H3,(H2,18,19,20)
InChIKeyAJVAJDGLWWDSCU-UHFFFAOYSA-N
XLogP2.96
TPSA111.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-difluoro-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide
CID 75385746
N-[5-(4-bromophenyl)-4-ethyl-1H-pyrazol-3-yl]-4-cyanobenzenesulfonamide
CID 71845175
1-(4-cyanophenyl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)methanesulfonamide
CID 115909173
N'-(4-cyanophenyl)sulfonyl-4-methylbenzenesulfonohydrazide
CID 8500681
N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methylpropoxy)benzenesulfonamide
CID 71850721
4-cyano-N-(2-methyl-3-pyridinyl)benzenesulfonamide
CID 79043385
4-[5-(5-methylfuran-2-yl)furan-2-yl]benzonitrile
CID 71056646
N-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-cyanobenzenesulfonamide
CID 75475225
4-cyano-N-(2,6-dichlorophenyl)benzenesulfonamide
CID 60640379
N-(4-amino-5-methyl-1H-pyrazol-3-yl)-2-chloro-5-cyanobenzenesulfonamide
CID 80703861
4-cyano-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 2441401
4-butan-2-yl-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 115750953

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide?
The IUPAC name of 4-cyano-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide (CID 75385748) is 4-cyano-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for 4-cyano-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide is Cc1ccc(-c2[nH]nc(NS(=O)(=O)c3ccc(C#N)cc3)c2C)o1.
What is the InChIKey of 4-cyano-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide?
The InChIKey is AJVAJDGLWWDSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3S/c1-10-3-8-14(23-10)15-11(2)16(19-18-15)20-24(21,22)13-6-4-12(9-17)5-7-13/h3-8H,1-2H3,(H2,18,19,20).
What are the key properties of 4-cyano-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide?
4-cyano-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide has a molecular weight of 342.38 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 75385748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).