(E)-3-(3-hydroxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide

C15H14N2O4S — CID 72945216

IUPAC(E)-3-(3-hydroxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
SMILESNS(=O)(=O)c1ccc(NC(=O)/C=C/c2cccc(O)c2)cc1
InChIInChI=1S/C15H14N2O4S/c16-22(20,21)14-7-5-12(6-8-14)17-15(19)9-4-11-2-1-3-13(18)10-11/h1-10,18H,(H,17,19)(H2,16,20,21)/b9-4+
InChIKeyHYUVSLSFTYZHBG-RUDMXATFSA-N
MW318.35 g/mol
LogP1.69
Rot. Bonds4

About (E)-3-(3-hydroxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide

(E)-3-(3-hydroxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide (PubChem CID 72945216) has the molecular formula C15H14N2O4S and a molecular weight of 318.35 g/mol. Its IUPAC name is (E)-3-(3-hydroxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-hydroxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
PubChem CID72945216
Molecular FormulaC15H14N2O4S
Molecular Weight318.35 g/mol
Exact Mass318.07
IUPAC Name(E)-3-(3-hydroxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
SMILESNS(=O)(=O)c1ccc(NC(=O)/C=C/c2cccc(O)c2)cc1
InChIInChI=1S/C15H14N2O4S/c16-22(20,21)14-7-5-12(6-8-14)17-15(19)9-4-11-2-1-3-13(18)10-11/h1-10,18H,(H,17,19)(H2,16,20,21)/b9-4+
InChIKeyHYUVSLSFTYZHBG-RUDMXATFSA-N
XLogP1.69
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3-phenylmethoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 35053594
(E)-3-(4-chlorophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 809685
(E)-3-phenyl-N-(3-sulfamoylphenyl)prop-2-enamide
CID 5348189
3-(3-chlorophenyl)-N-(3-sulfamoylphenyl)prop-2-enamide
CID 5186373
(E)-3-(3-hydroxyphenyl)-N-[4-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135360057
3-[[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]amino]benzoic acid
CID 11962227
(E)-3-(3-chlorophenyl)-N-(4-methylsulfonylphenyl)prop-2-enamide
CID 42994544
(E)-3-(3-bromophenyl)-N-(4-methylsulfonylphenyl)prop-2-enamide
CID 16551375
(E)-N-[4-(dimethylsulfamoyl)phenyl]-3-(3-methylphenyl)prop-2-enamide
CID 26863375
(E)-3-(4-butoxy-3-ethoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 2071589
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide
CID 24640586
2-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanyl-N-(4-sulfamoylphenyl)propanamide
CID 23098069

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-hydroxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-hydroxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide (CID 72945216) is (E)-3-(3-hydroxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-hydroxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-hydroxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide is NS(=O)(=O)c1ccc(NC(=O)/C=C/c2cccc(O)c2)cc1.
What is the InChIKey of (E)-3-(3-hydroxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide?
The InChIKey is HYUVSLSFTYZHBG-RUDMXATFSA-N. The full InChI is InChI=1S/C15H14N2O4S/c16-22(20,21)14-7-5-12(6-8-14)17-15(19)9-4-11-2-1-3-13(18)10-11/h1-10,18H,(H,17,19)(H2,16,20,21)/b9-4+.
What are the key properties of (E)-3-(3-hydroxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide?
(E)-3-(3-hydroxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide has a molecular weight of 318.35 g/mol, XLogP of 1.69, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-hydroxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide is sourced from PubChem (CID 72945216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).