3-[3-[[(E)-2-phenylethenyl]sulfonylamino]phenyl]propyl acetate

C19H21NO4S — CID 75524808

IUPAC3-[3-[[(E)-2-phenylethenyl]sulfonylamino]phenyl]propyl acetate
SMILESCC(=O)OCCCc1cccc(NS(=O)(=O)/C=C/c2ccccc2)c1
InChIInChI=1S/C19H21NO4S/c1-16(21)24-13-6-10-18-9-5-11-19(15-18)20-25(22,23)14-12-17-7-3-2-4-8-17/h2-5,7-9,11-12,14-15,20H,6,10,13H2,1H3/b14-12+
InChIKeyCXMCYLLECVELEC-WYMLVPIESA-N
MW359.45 g/mol
LogP3.59
Rot. Bonds8

About 3-[3-[[(E)-2-phenylethenyl]sulfonylamino]phenyl]propyl acetate

3-[3-[[(E)-2-phenylethenyl]sulfonylamino]phenyl]propyl acetate (PubChem CID 75524808) has the molecular formula C19H21NO4S and a molecular weight of 359.45 g/mol. Its IUPAC name is 3-[3-[[(E)-2-phenylethenyl]sulfonylamino]phenyl]propyl acetate.

Molecular Properties

Compound Name3-[3-[[(E)-2-phenylethenyl]sulfonylamino]phenyl]propyl acetate
PubChem CID75524808
Molecular FormulaC19H21NO4S
Molecular Weight359.45 g/mol
Exact Mass359.12
IUPAC Name3-[3-[[(E)-2-phenylethenyl]sulfonylamino]phenyl]propyl acetate
SMILESCC(=O)OCCCc1cccc(NS(=O)(=O)/C=C/c2ccccc2)c1
InChIInChI=1S/C19H21NO4S/c1-16(21)24-13-6-10-18-9-5-11-19(15-18)20-25(22,23)14-12-17-7-3-2-4-8-17/h2-5,7-9,11-12,14-15,20H,6,10,13H2,1H3/b14-12+
InChIKeyCXMCYLLECVELEC-WYMLVPIESA-N
XLogP3.59
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[3-[[(E)-2-phenylethenyl]sulfonylamino]phenyl]prop-2-enoate
CID 67019599
3-[3-[(4-ethoxyphenyl)sulfonylamino]phenyl]propyl acetate
CID 75524807
3-[3-(2-phenylethenylsulfonylamino)phenyl]prop-2-enoate
CID 4741044
N-(3-ethylphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 27256502
N-(3-methylsulfinylphenyl)-2-phenylethenesulfonamide
CID 72690490
[2-oxo-2-(propan-2-ylamino)ethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoate
CID 2570571
(E)-N-[3-(diethylamino)phenyl]-2-phenylethenesulfonamide
CID 58752965
N-[3-(imidazol-1-ylmethyl)phenyl]-2-phenylethenesulfonamide
CID 71835292
5-(2-phenylethenylsulfonylamino)benzene-1,3-dicarboxylate
CID 3385680
2-[[(E)-2-phenylethenyl]sulfonylamino]-4-(2-phenylethyl)benzoic acid
CID 69331386
N-[3-[[(E)-2-phenylethenyl]sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35540858
3-[3-[(3,4-dimethylbenzoyl)amino]phenyl]propyl acetate
CID 75477339

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[(E)-2-phenylethenyl]sulfonylamino]phenyl]propyl acetate?
The IUPAC name of 3-[3-[[(E)-2-phenylethenyl]sulfonylamino]phenyl]propyl acetate (CID 75524808) is 3-[3-[[(E)-2-phenylethenyl]sulfonylamino]phenyl]propyl acetate.
What is the SMILES notation for 3-[3-[[(E)-2-phenylethenyl]sulfonylamino]phenyl]propyl acetate?
The canonical SMILES for 3-[3-[[(E)-2-phenylethenyl]sulfonylamino]phenyl]propyl acetate is CC(=O)OCCCc1cccc(NS(=O)(=O)/C=C/c2ccccc2)c1.
What is the InChIKey of 3-[3-[[(E)-2-phenylethenyl]sulfonylamino]phenyl]propyl acetate?
The InChIKey is CXMCYLLECVELEC-WYMLVPIESA-N. The full InChI is InChI=1S/C19H21NO4S/c1-16(21)24-13-6-10-18-9-5-11-19(15-18)20-25(22,23)14-12-17-7-3-2-4-8-17/h2-5,7-9,11-12,14-15,20H,6,10,13H2,1H3/b14-12+.
What are the key properties of 3-[3-[[(E)-2-phenylethenyl]sulfonylamino]phenyl]propyl acetate?
3-[3-[[(E)-2-phenylethenyl]sulfonylamino]phenyl]propyl acetate has a molecular weight of 359.45 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[(E)-2-phenylethenyl]sulfonylamino]phenyl]propyl acetate is sourced from PubChem (CID 75524808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).