ethyl (E,2Z)-4-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyliminobut-3-enoate

C19H18ClNO4S — CID 154711088

IUPACethyl (E,2Z)-4-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyliminobut-3-enoate
SMILESCCOC(=O)C(/C=C/c1ccc(Cl)cc1)=N\S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H18ClNO4S/c1-3-25-19(22)18(13-8-15-6-9-16(20)10-7-15)21-26(23,24)17-11-4-14(2)5-12-17/h4-13H,3H2,1-2H3/b13-8+,21-18-
InChIKeyFHVCJYWAMSFAMT-QKVZCINJSA-N
MW391.88 g/mol
LogP4.05
Rot. Bonds6

About ethyl (E,2Z)-4-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyliminobut-3-enoate

ethyl (E,2Z)-4-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyliminobut-3-enoate (PubChem CID 154711088) has the molecular formula C19H18ClNO4S and a molecular weight of 391.88 g/mol. Its IUPAC name is ethyl (E,2Z)-4-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyliminobut-3-enoate.

Molecular Properties

Compound Nameethyl (E,2Z)-4-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyliminobut-3-enoate
PubChem CID154711088
Molecular FormulaC19H18ClNO4S
Molecular Weight391.88 g/mol
Exact Mass391.06
IUPAC Nameethyl (E,2Z)-4-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyliminobut-3-enoate
SMILESCCOC(=O)C(/C=C/c1ccc(Cl)cc1)=N\S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H18ClNO4S/c1-3-25-19(22)18(13-8-15-6-9-16(20)10-7-15)21-26(23,24)17-11-4-14(2)5-12-17/h4-13H,3H2,1-2H3/b13-8+,21-18-
InChIKeyFHVCJYWAMSFAMT-QKVZCINJSA-N
XLogP4.05
TPSA72.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.88
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (E,2Z)-4-(4-methylphenyl)-2-(4-methylphenyl)sulfonyliminobut-3-enoate
CID 139201593
ethyl (E,2Z)-4-(2-chlorophenyl)-2-(4-methylphenyl)sulfonyliminobut-3-enoate
CID 154711272
ethyl (E)-3-[4-[(3-chloro-4-fluorophenyl)sulfonylamino]phenyl]prop-2-enoate
CID 35940805
3-(4-chlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide
CID 4052068
N-[1-(4-chlorophenyl)ethylidene]-4-methylbenzenesulfonamide
CID 74345526
ethyl 3-[3-(4-chlorophenyl)prop-2-enoyl-methylamino]propanoate
CID 76923124
ethyl (2E)-2-(4-methylphenyl)sulfonyliminoacetate
CID 10923109
ethyl (Z)-3-(4-methylsulfonylphenyl)prop-2-enoate
CID 86308026
N-[(E)-3-(4-chlorophenyl)prop-2-enyl]-4-methylbenzenesulfonamide
CID 24755429
(NE)-N-[(E)-1,3-bis(4-bromophenyl)prop-2-enylidene]-4-methylbenzenesulfonamide
CID 154594169
(E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)sulfonylprop-2-enamide
CID 52636492
N-[(E)-5-(4-chlorophenyl)-3-oxo-1-phenylpent-4-enyl]-4-methylbenzenesulfonamide
CID 101494243

Frequently Asked Questions

What is the IUPAC name of ethyl (E,2Z)-4-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyliminobut-3-enoate?
The IUPAC name of ethyl (E,2Z)-4-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyliminobut-3-enoate (CID 154711088) is ethyl (E,2Z)-4-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyliminobut-3-enoate.
What is the SMILES notation for ethyl (E,2Z)-4-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyliminobut-3-enoate?
The canonical SMILES for ethyl (E,2Z)-4-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyliminobut-3-enoate is CCOC(=O)C(/C=C/c1ccc(Cl)cc1)=N\S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of ethyl (E,2Z)-4-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyliminobut-3-enoate?
The InChIKey is FHVCJYWAMSFAMT-QKVZCINJSA-N. The full InChI is InChI=1S/C19H18ClNO4S/c1-3-25-19(22)18(13-8-15-6-9-16(20)10-7-15)21-26(23,24)17-11-4-14(2)5-12-17/h4-13H,3H2,1-2H3/b13-8+,21-18-.
What are the key properties of ethyl (E,2Z)-4-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyliminobut-3-enoate?
ethyl (E,2Z)-4-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyliminobut-3-enoate has a molecular weight of 391.88 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E,2Z)-4-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyliminobut-3-enoate is sourced from PubChem (CID 154711088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).