(E)-3-[4-[(3-pyrazin-2-yloxyphenyl)sulfamoyl]phenyl]prop-2-enoic acid

C19H15N3O5S — CID 39836222

IUPAC(E)-3-[4-[(3-pyrazin-2-yloxyphenyl)sulfamoyl]phenyl]prop-2-enoic acid
SMILESO=C(O)/C=C/c1ccc(S(=O)(=O)Nc2cccc(Oc3cnccn3)c2)cc1
InChIInChI=1S/C19H15N3O5S/c23-19(24)9-6-14-4-7-17(8-5-14)28(25,26)22-15-2-1-3-16(12-15)27-18-13-20-10-11-21-18/h1-13,22H,(H,23,24)/b9-6+
InChIKeyBRRFYRYKCAWFRK-RMKNXTFCSA-N
MW397.41 g/mol
LogP3.17
Rot. Bonds7

About (E)-3-[4-[(3-pyrazin-2-yloxyphenyl)sulfamoyl]phenyl]prop-2-enoic acid

(E)-3-[4-[(3-pyrazin-2-yloxyphenyl)sulfamoyl]phenyl]prop-2-enoic acid (PubChem CID 39836222) has the molecular formula C19H15N3O5S and a molecular weight of 397.41 g/mol. Its IUPAC name is (E)-3-[4-[(3-pyrazin-2-yloxyphenyl)sulfamoyl]phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[4-[(3-pyrazin-2-yloxyphenyl)sulfamoyl]phenyl]prop-2-enoic acid
PubChem CID39836222
Molecular FormulaC19H15N3O5S
Molecular Weight397.41 g/mol
Exact Mass397.07
IUPAC Name(E)-3-[4-[(3-pyrazin-2-yloxyphenyl)sulfamoyl]phenyl]prop-2-enoic acid
SMILESO=C(O)/C=C/c1ccc(S(=O)(=O)Nc2cccc(Oc3cnccn3)c2)cc1
InChIInChI=1S/C19H15N3O5S/c23-19(24)9-6-14-4-7-17(8-5-14)28(25,26)22-15-2-1-3-16(12-15)27-18-13-20-10-11-21-18/h1-13,22H,(H,23,24)/b9-6+
InChIKeyBRRFYRYKCAWFRK-RMKNXTFCSA-N
XLogP3.17
TPSA118.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.41
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-(3-pyrazin-2-yloxyphenyl)benzenesulfonamide
CID 31912208
3,4-difluoro-N-(3-pyrazin-2-yloxyphenyl)benzenesulfonamide
CID 31912152
4-(3-methylbutyl)-N-(3-pyrazin-2-yloxyphenyl)benzenesulfonamide
CID 55676349
3-[[4-[(E)-2-carboxyethenyl]phenyl]sulfonylamino]benzoic acid
CID 673258
dimethyl 2-[(3-pyrazin-2-yloxyphenyl)sulfamoyl]benzene-1,4-dicarboxylate
CID 31912381
(E)-3-[4-(pyridin-2-ylsulfamoyl)phenyl]prop-2-enoic acid
CID 5344094
(E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 2345488
3-[4-[(4-phenylphenyl)sulfonylamino]phenyl]prop-2-enoic acid
CID 67019636
3-[4-[(4-phenylphenyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 4844260
(E)-3-[4-[(4-phenylmethoxyphenyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 2554303
N-(3-pyrazin-2-yloxyphenyl)-3,4-dihydronaphthalene-2-sulfonamide
CID 46437368
(E)-3-(4-fluorophenyl)-N-[(1S)-1-(3-pyrazin-2-yloxyphenyl)ethyl]prop-2-enamide
CID 10428785

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[(3-pyrazin-2-yloxyphenyl)sulfamoyl]phenyl]prop-2-enoic acid?
The IUPAC name of (E)-3-[4-[(3-pyrazin-2-yloxyphenyl)sulfamoyl]phenyl]prop-2-enoic acid (CID 39836222) is (E)-3-[4-[(3-pyrazin-2-yloxyphenyl)sulfamoyl]phenyl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[4-[(3-pyrazin-2-yloxyphenyl)sulfamoyl]phenyl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[4-[(3-pyrazin-2-yloxyphenyl)sulfamoyl]phenyl]prop-2-enoic acid is O=C(O)/C=C/c1ccc(S(=O)(=O)Nc2cccc(Oc3cnccn3)c2)cc1.
What is the InChIKey of (E)-3-[4-[(3-pyrazin-2-yloxyphenyl)sulfamoyl]phenyl]prop-2-enoic acid?
The InChIKey is BRRFYRYKCAWFRK-RMKNXTFCSA-N. The full InChI is InChI=1S/C19H15N3O5S/c23-19(24)9-6-14-4-7-17(8-5-14)28(25,26)22-15-2-1-3-16(12-15)27-18-13-20-10-11-21-18/h1-13,22H,(H,23,24)/b9-6+.
What are the key properties of (E)-3-[4-[(3-pyrazin-2-yloxyphenyl)sulfamoyl]phenyl]prop-2-enoic acid?
(E)-3-[4-[(3-pyrazin-2-yloxyphenyl)sulfamoyl]phenyl]prop-2-enoic acid has a molecular weight of 397.41 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[(3-pyrazin-2-yloxyphenyl)sulfamoyl]phenyl]prop-2-enoic acid is sourced from PubChem (CID 39836222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).