3-[3-(2-phenylethenylsulfonylamino)phenyl]prop-2-enoate

C17H14NO4S- — CID 4741044

IUPAC3-[3-(2-phenylethenylsulfonylamino)phenyl]prop-2-enoate
SMILESO=C([O-])C=Cc1cccc(NS(=O)(=O)C=Cc2ccccc2)c1
InChIInChI=1S/C17H15NO4S/c19-17(20)10-9-15-7-4-8-16(13-15)18-23(21,22)12-11-14-5-2-1-3-6-14/h1-13,18H,(H,19,20)/p-1
InChIKeyLUJQGKDFCRVBLE-UHFFFAOYSA-M
MW328.37 g/mol
LogP1.86
Rot. Bonds6

About 3-[3-(2-phenylethenylsulfonylamino)phenyl]prop-2-enoate

3-[3-(2-phenylethenylsulfonylamino)phenyl]prop-2-enoate (PubChem CID 4741044) has the molecular formula C17H14NO4S- and a molecular weight of 328.37 g/mol. Its IUPAC name is 3-[3-(2-phenylethenylsulfonylamino)phenyl]prop-2-enoate.

Molecular Properties

Compound Name3-[3-(2-phenylethenylsulfonylamino)phenyl]prop-2-enoate
PubChem CID4741044
Molecular FormulaC17H14NO4S-
Molecular Weight328.37 g/mol
Exact Mass328.06
IUPAC Name3-[3-(2-phenylethenylsulfonylamino)phenyl]prop-2-enoate
SMILESO=C([O-])C=Cc1cccc(NS(=O)(=O)C=Cc2ccccc2)c1
InChIInChI=1S/C17H15NO4S/c19-17(20)10-9-15-7-4-8-16(13-15)18-23(21,22)12-11-14-5-2-1-3-6-14/h1-13,18H,(H,19,20)/p-1
InChIKeyLUJQGKDFCRVBLE-UHFFFAOYSA-M
XLogP1.86
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[3-[[(E)-2-phenylethenyl]sulfonylamino]phenyl]prop-2-enoate
CID 67019599
5-(2-phenylethenylsulfonylamino)benzene-1,3-dicarboxylate
CID 3385680
lithium 3-phenylprop-2-enoate
CID 67041801
N-(3-methylsulfinylphenyl)-2-phenylethenesulfonamide
CID 72690490
N-[3-[[(E)-2-phenylethenyl]sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35540858
tetrakis(3-phenylprop-2-enoate);tin(4+)
CID 157178082
barium(2+);bis(3-phenylprop-2-enoate)
CID 57371058
sodium (Z)-3-phenylprop-2-enoate
CID 23717933
europium(2+);bis(3-phenylprop-2-enoate)
CID 173196474
4-(2-phenylethenylsulfonylamino)pyridine-2-carboxylic acid
CID 77003684
3-[3-[[(E)-2-phenylethenyl]sulfonylamino]phenyl]propyl acetate
CID 75524808
(E)-3-[3-(sulfamoylamino)phenyl]prop-2-enoic acid
CID 114959003

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-phenylethenylsulfonylamino)phenyl]prop-2-enoate?
The IUPAC name of 3-[3-(2-phenylethenylsulfonylamino)phenyl]prop-2-enoate (CID 4741044) is 3-[3-(2-phenylethenylsulfonylamino)phenyl]prop-2-enoate.
What is the SMILES notation for 3-[3-(2-phenylethenylsulfonylamino)phenyl]prop-2-enoate?
The canonical SMILES for 3-[3-(2-phenylethenylsulfonylamino)phenyl]prop-2-enoate is O=C([O-])C=Cc1cccc(NS(=O)(=O)C=Cc2ccccc2)c1.
What is the InChIKey of 3-[3-(2-phenylethenylsulfonylamino)phenyl]prop-2-enoate?
The InChIKey is LUJQGKDFCRVBLE-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H15NO4S/c19-17(20)10-9-15-7-4-8-16(13-15)18-23(21,22)12-11-14-5-2-1-3-6-14/h1-13,18H,(H,19,20)/p-1.
What are the key properties of 3-[3-(2-phenylethenylsulfonylamino)phenyl]prop-2-enoate?
3-[3-(2-phenylethenylsulfonylamino)phenyl]prop-2-enoate has a molecular weight of 328.37 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-phenylethenylsulfonylamino)phenyl]prop-2-enoate is sourced from PubChem (CID 4741044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).