(E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-(pyridin-2-ylmethyl)prop-2-enamide

C21H18ClN3O3S — CID 26591216

IUPAC(E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-(pyridin-2-ylmethyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)NCc1ccccn1
InChIInChI=1S/C21H18ClN3O3S/c22-19-6-1-2-7-20(19)25-29(27,28)18-11-8-16(9-12-18)10-13-21(26)24-15-17-5-3-4-14-23-17/h1-14,25H,15H2,(H,24,26)/b13-10+
InChIKeyYHVVYWFESUOXES-JLHYYAGUSA-N
MW427.91 g/mol
LogP3.87
Rot. Bonds7

About (E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-(pyridin-2-ylmethyl)prop-2-enamide

(E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-(pyridin-2-ylmethyl)prop-2-enamide (PubChem CID 26591216) has the molecular formula C21H18ClN3O3S and a molecular weight of 427.91 g/mol. Its IUPAC name is (E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-(pyridin-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-(pyridin-2-ylmethyl)prop-2-enamide
PubChem CID26591216
Molecular FormulaC21H18ClN3O3S
Molecular Weight427.91 g/mol
Exact Mass427.08
IUPAC Name(E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-(pyridin-2-ylmethyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)NCc1ccccn1
InChIInChI=1S/C21H18ClN3O3S/c22-19-6-1-2-7-20(19)25-29(27,28)18-11-8-16(9-12-18)10-13-21(26)24-15-17-5-3-4-14-23-17/h1-14,25H,15H2,(H,24,26)/b13-10+
InChIKeyYHVVYWFESUOXES-JLHYYAGUSA-N
XLogP3.87
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.91
LogP ≤ 53.87
H-Bond Donors ≤ 52
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-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-ethylprop-2-enamide
CID 26637949
(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 46798350
(E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-enamide
CID 55963826
(E)-3-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 886894
propan-2-yl 2-[[(E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]prop-2-enoyl]amino]acetate
CID 56551023
(E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-[2-(4-fluorophenyl)ethyl]prop-2-enamide
CID 26796001
3-(4-tert-butylphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 2929509
(E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-(3-hydroxyphenyl)prop-2-enamide
CID 78783289
5-[3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]prop-2-enoylamino]benzene-1,3-dicarboxamide
CID 4843804
(E)-3-[4-(difluoromethoxy)phenyl]-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 8895534
2-[(4-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)benzamide
CID 2973231
(E)-3-(3-amino-4-methylphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 39366180

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-(pyridin-2-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-(pyridin-2-ylmethyl)prop-2-enamide (CID 26591216) is (E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-(pyridin-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-(pyridin-2-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-(pyridin-2-ylmethyl)prop-2-enamide is O=C(/C=C/c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)NCc1ccccn1.
What is the InChIKey of (E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-(pyridin-2-ylmethyl)prop-2-enamide?
The InChIKey is YHVVYWFESUOXES-JLHYYAGUSA-N. The full InChI is InChI=1S/C21H18ClN3O3S/c22-19-6-1-2-7-20(19)25-29(27,28)18-11-8-16(9-12-18)10-13-21(26)24-15-17-5-3-4-14-23-17/h1-14,25H,15H2,(H,24,26)/b13-10+.
What are the key properties of (E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-(pyridin-2-ylmethyl)prop-2-enamide?
(E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-(pyridin-2-ylmethyl)prop-2-enamide has a molecular weight of 427.91 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-(pyridin-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 26591216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).