1-(3-cyanophenyl)-N-(4-ethyl-1H-pyrazol-5-yl)methanesulfonamide

C13H14N4O2S — CID 104620961

IUPAC1-(3-cyanophenyl)-N-(4-ethyl-1H-pyrazol-5-yl)methanesulfonamide
SMILESCCc1cn[nH]c1NS(=O)(=O)Cc1cccc(C#N)c1
InChIInChI=1S/C13H14N4O2S/c1-2-12-8-15-16-13(12)17-20(18,19)9-11-5-3-4-10(6-11)7-14/h3-6,8H,2,9H2,1H3,(H2,15,16,17)
InChIKeyIYVGJTOLUIJIPQ-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.79
Rot. Bonds5

About 1-(3-cyanophenyl)-N-(4-ethyl-1H-pyrazol-5-yl)methanesulfonamide

1-(3-cyanophenyl)-N-(4-ethyl-1H-pyrazol-5-yl)methanesulfonamide (PubChem CID 104620961) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is 1-(3-cyanophenyl)-N-(4-ethyl-1H-pyrazol-5-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(3-cyanophenyl)-N-(4-ethyl-1H-pyrazol-5-yl)methanesulfonamide
PubChem CID104620961
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC Name1-(3-cyanophenyl)-N-(4-ethyl-1H-pyrazol-5-yl)methanesulfonamide
SMILESCCc1cn[nH]c1NS(=O)(=O)Cc1cccc(C#N)c1
InChIInChI=1S/C13H14N4O2S/c1-2-12-8-15-16-13(12)17-20(18,19)9-11-5-3-4-10(6-11)7-14/h3-6,8H,2,9H2,1H3,(H2,15,16,17)
InChIKeyIYVGJTOLUIJIPQ-UHFFFAOYSA-N
XLogP1.79
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-cyanophenyl)-N-(1H-1,2,4-triazol-5-yl)methanesulfonamide
CID 55151849
(3-cyanophenyl)methanesulfonohydrazide
CID 43476897
N-(4-ethyl-1H-pyrazol-5-yl)propane-1-sulfonamide
CID 104620984
1-(4-cyanophenyl)-N-(4-cyano-1H-pyrazol-5-yl)methanesulfonamide
CID 79503770
N-(4-amino-3-methylphenyl)-1-(3-cyanophenyl)methanesulfonamide
CID 43604837
N-(4-bromo-2-pyridinyl)-1-(3-cyanophenyl)methanesulfonamide
CID 102822237
N-(4-ethyl-1H-pyrazol-5-yl)-1-methylsulfonylmethanesulfonamide
CID 104621010
N-(2-chloropyrimidin-4-yl)-1-(3-cyanophenyl)methanesulfonamide
CID 116798729
1-(3-cyanophenyl)-N-(2-methylprop-2-enyl)methanesulfonamide
CID 114616443
1-(3-cyanophenyl)-N-[(2R)-2-hydroxypropyl]methanesulfonamide
CID 83029588
1-(3-cyanophenyl)-N-[(4-propoxyphenyl)methyl]methanesulfonamide
CID 87032785
5-[(3-cyanophenyl)methylsulfonylamino]thiophene-2-carboxylic acid
CID 43475040

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyanophenyl)-N-(4-ethyl-1H-pyrazol-5-yl)methanesulfonamide?
The IUPAC name of 1-(3-cyanophenyl)-N-(4-ethyl-1H-pyrazol-5-yl)methanesulfonamide (CID 104620961) is 1-(3-cyanophenyl)-N-(4-ethyl-1H-pyrazol-5-yl)methanesulfonamide.
What is the SMILES notation for 1-(3-cyanophenyl)-N-(4-ethyl-1H-pyrazol-5-yl)methanesulfonamide?
The canonical SMILES for 1-(3-cyanophenyl)-N-(4-ethyl-1H-pyrazol-5-yl)methanesulfonamide is CCc1cn[nH]c1NS(=O)(=O)Cc1cccc(C#N)c1.
What is the InChIKey of 1-(3-cyanophenyl)-N-(4-ethyl-1H-pyrazol-5-yl)methanesulfonamide?
The InChIKey is IYVGJTOLUIJIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c1-2-12-8-15-16-13(12)17-20(18,19)9-11-5-3-4-10(6-11)7-14/h3-6,8H,2,9H2,1H3,(H2,15,16,17).
What are the key properties of 1-(3-cyanophenyl)-N-(4-ethyl-1H-pyrazol-5-yl)methanesulfonamide?
1-(3-cyanophenyl)-N-(4-ethyl-1H-pyrazol-5-yl)methanesulfonamide has a molecular weight of 290.35 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyanophenyl)-N-(4-ethyl-1H-pyrazol-5-yl)methanesulfonamide is sourced from PubChem (CID 104620961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).