3-cyano-4-(4-pyrazol-1-ylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide

C19H13N5O3S2 — CID 71718742

IUPAC3-cyano-4-(4-pyrazol-1-ylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(-n2cccn2)cc1
InChIInChI=1S/C19H13N5O3S2/c20-13-14-12-17(29(25,26)23-19-21-9-11-28-19)6-7-18(14)27-16-4-2-15(3-5-16)24-10-1-8-22-24/h1-12H,(H,21,23)
InChIKeyVEUKQJVKKWVOQP-UHFFFAOYSA-N
MW423.48 g/mol
LogP3.79
Rot. Bonds6

About 3-cyano-4-(4-pyrazol-1-ylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide

3-cyano-4-(4-pyrazol-1-ylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 71718742) has the molecular formula C19H13N5O3S2 and a molecular weight of 423.48 g/mol. Its IUPAC name is 3-cyano-4-(4-pyrazol-1-ylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-4-(4-pyrazol-1-ylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID71718742
Molecular FormulaC19H13N5O3S2
Molecular Weight423.48 g/mol
Exact Mass423.05
IUPAC Name3-cyano-4-(4-pyrazol-1-ylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(-n2cccn2)cc1
InChIInChI=1S/C19H13N5O3S2/c20-13-14-12-17(29(25,26)23-19-21-9-11-28-19)6-7-18(14)27-16-4-2-15(3-5-16)24-10-1-8-22-24/h1-12H,(H,21,23)
InChIKeyVEUKQJVKKWVOQP-UHFFFAOYSA-N
XLogP3.79
TPSA109.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-4-(4-pyrazol-1-ylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 3-cyano-4-(4-pyrazol-1-ylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 71718742) is 3-cyano-4-(4-pyrazol-1-ylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-cyano-4-(4-pyrazol-1-ylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 3-cyano-4-(4-pyrazol-1-ylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide is N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(-n2cccn2)cc1.
What is the InChIKey of 3-cyano-4-(4-pyrazol-1-ylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is VEUKQJVKKWVOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N5O3S2/c20-13-14-12-17(29(25,26)23-19-21-9-11-28-19)6-7-18(14)27-16-4-2-15(3-5-16)24-10-1-8-22-24/h1-12H,(H,21,23).
What are the key properties of 3-cyano-4-(4-pyrazol-1-ylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
3-cyano-4-(4-pyrazol-1-ylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 423.48 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-4-(4-pyrazol-1-ylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 71718742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).