(E)-N-(1H-pyrazol-5-yl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide

C14H17N3O5S — CID 18772364

IUPAC(E)-N-(1H-pyrazol-5-yl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide
SMILESCOc1cc(OC)c(/C=C/S(=O)(=O)Nc2ccn[nH]2)c(OC)c1
InChIInChI=1S/C14H17N3O5S/c1-20-10-8-12(21-2)11(13(9-10)22-3)5-7-23(18,19)17-14-4-6-15-16-14/h4-9H,1-3H3,(H2,15,16,17)/b7-5+
InChIKeyZRIFXTJAVUJWTB-FNORWQNLSA-N
MW339.37 g/mol
LogP1.85
Rot. Bonds7

About (E)-N-(1H-pyrazol-5-yl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide

(E)-N-(1H-pyrazol-5-yl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide (PubChem CID 18772364) has the molecular formula C14H17N3O5S and a molecular weight of 339.37 g/mol. Its IUPAC name is (E)-N-(1H-pyrazol-5-yl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide.

Molecular Properties

Compound Name(E)-N-(1H-pyrazol-5-yl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide
PubChem CID18772364
Molecular FormulaC14H17N3O5S
Molecular Weight339.37 g/mol
Exact Mass339.09
IUPAC Name(E)-N-(1H-pyrazol-5-yl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide
SMILESCOc1cc(OC)c(/C=C/S(=O)(=O)Nc2ccn[nH]2)c(OC)c1
InChIInChI=1S/C14H17N3O5S/c1-20-10-8-12(21-2)11(13(9-10)22-3)5-7-23(18,19)17-14-4-6-15-16-14/h4-9H,1-3H3,(H2,15,16,17)/b7-5+
InChIKeyZRIFXTJAVUJWTB-FNORWQNLSA-N
XLogP1.85
TPSA102.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dimethoxy-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 61394362
N-(2-amino-4-methoxyphenyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide
CID 67317738
5-bromo-2-methoxy-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 56684268
4-amino-3-methoxy-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 81437806
(E)-2-(4-hydroxy-2,6-dimethoxyphenyl)-N-(4-methoxyphenyl)ethenesulfonamide
CID 71745325
2-chloro-N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]phenyl]acetamide
CID 10151889
2-methoxy-5-(1H-pyrazol-5-ylsulfamoyl)benzoic acid
CID 61394386
(E)-2-(2,6-dimethoxyphenyl)-N-(4-methoxyphenyl)ethenesulfonamide
CID 71745323
[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]phenyl] 2,2,2-trifluoroacetate
CID 67102628
2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]anilino]acetic acid
CID 66810663
3-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]anilino]-3-oxopropanoic acid
CID 10310996
(E)-2-(2,4-dimethoxyphenyl)-N-(4-methoxyphenyl)ethenesulfonamide
CID 71745322

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1H-pyrazol-5-yl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide?
The IUPAC name of (E)-N-(1H-pyrazol-5-yl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide (CID 18772364) is (E)-N-(1H-pyrazol-5-yl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide.
What is the SMILES notation for (E)-N-(1H-pyrazol-5-yl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide?
The canonical SMILES for (E)-N-(1H-pyrazol-5-yl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide is COc1cc(OC)c(/C=C/S(=O)(=O)Nc2ccn[nH]2)c(OC)c1.
What is the InChIKey of (E)-N-(1H-pyrazol-5-yl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide?
The InChIKey is ZRIFXTJAVUJWTB-FNORWQNLSA-N. The full InChI is InChI=1S/C14H17N3O5S/c1-20-10-8-12(21-2)11(13(9-10)22-3)5-7-23(18,19)17-14-4-6-15-16-14/h4-9H,1-3H3,(H2,15,16,17)/b7-5+.
What are the key properties of (E)-N-(1H-pyrazol-5-yl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide?
(E)-N-(1H-pyrazol-5-yl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide has a molecular weight of 339.37 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1H-pyrazol-5-yl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide is sourced from PubChem (CID 18772364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).