(E)-3-[3-[(2-chlorophenyl)methylsulfamoyl]-4-methoxyphenyl]prop-2-enoate

C17H15ClNO5S- — CID 9160607

IUPAC(E)-3-[3-[(2-chlorophenyl)methylsulfamoyl]-4-methoxyphenyl]prop-2-enoate
SMILESCOc1ccc(/C=C/C(=O)[O-])cc1S(=O)(=O)NCc1ccccc1Cl
InChIInChI=1S/C17H16ClNO5S/c1-24-15-8-6-12(7-9-17(20)21)10-16(15)25(22,23)19-11-13-4-2-3-5-14(13)18/h2-10,19H,11H2,1H3,(H,20,21)/p-1/b9-7+
InChIKeyJAKLMFPLICIHEE-VQHVLOKHSA-M
MW380.83 g/mol
LogP1.59
Rot. Bonds7

About (E)-3-[3-[(2-chlorophenyl)methylsulfamoyl]-4-methoxyphenyl]prop-2-enoate

(E)-3-[3-[(2-chlorophenyl)methylsulfamoyl]-4-methoxyphenyl]prop-2-enoate (PubChem CID 9160607) has the molecular formula C17H15ClNO5S- and a molecular weight of 380.83 g/mol. Its IUPAC name is (E)-3-[3-[(2-chlorophenyl)methylsulfamoyl]-4-methoxyphenyl]prop-2-enoate.

Molecular Properties

Compound Name(E)-3-[3-[(2-chlorophenyl)methylsulfamoyl]-4-methoxyphenyl]prop-2-enoate
PubChem CID9160607
Molecular FormulaC17H15ClNO5S-
Molecular Weight380.83 g/mol
Exact Mass380.04
IUPAC Name(E)-3-[3-[(2-chlorophenyl)methylsulfamoyl]-4-methoxyphenyl]prop-2-enoate
SMILESCOc1ccc(/C=C/C(=O)[O-])cc1S(=O)(=O)NCc1ccccc1Cl
InChIInChI=1S/C17H16ClNO5S/c1-24-15-8-6-12(7-9-17(20)21)10-16(15)25(22,23)19-11-13-4-2-3-5-14(13)18/h2-10,19H,11H2,1H3,(H,20,21)/p-1/b9-7+
InChIKeyJAKLMFPLICIHEE-VQHVLOKHSA-M
XLogP1.59
TPSA95.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.83
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chlorophenyl)methyl]-5-fluoro-2-methoxybenzenesulfonamide
CID 16644774
(E)-3-[3-(3-ethoxypropylsulfamoyl)-4-methoxyphenyl]prop-2-enoate
CID 9160581
5-[(2-chlorophenyl)methylsulfamoyl]-2-methoxybenzamide
CID 34029898
N-[(2-chlorophenyl)methyl]-3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzamide
CID 55348399
(Z)-3-[3-(tert-butylsulfamoyl)-4-methoxyphenyl]prop-2-enoic acid
CID 2493130
4-[[5-(2-carboxyethenyl)-2-methoxyphenyl]sulfonylamino]butanoic acid
CID 2769939
2-chloro-N-[(2,4,5-trimethoxyphenyl)methyl]benzenesulfonamide
CID 8819063
5-tert-butyl-N-[(2-chlorophenyl)methyl]-2-ethoxybenzenesulfonamide
CID 66485819
[2-(4-chlorophenyl)-2-oxoethyl] (E)-3-[3-(furan-2-ylmethylsulfamoyl)-4-methoxyphenyl]prop-2-enoate
CID 1191209
(E)-N-[(2-chlorophenyl)methyl]-3-(3,5-dimethoxyphenyl)prop-2-enamide
CID 9079335
tert-butyl (E)-3-[3-(tert-butylsulfamoyl)-4-methoxyphenyl]prop-2-enoate
CID 165475919
5-bromo-N-[(2-chloro-4-fluorophenyl)methyl]-2-methoxybenzenesulfonamide
CID 3338013

Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-[(2-chlorophenyl)methylsulfamoyl]-4-methoxyphenyl]prop-2-enoate?
The IUPAC name of (E)-3-[3-[(2-chlorophenyl)methylsulfamoyl]-4-methoxyphenyl]prop-2-enoate (CID 9160607) is (E)-3-[3-[(2-chlorophenyl)methylsulfamoyl]-4-methoxyphenyl]prop-2-enoate.
What is the SMILES notation for (E)-3-[3-[(2-chlorophenyl)methylsulfamoyl]-4-methoxyphenyl]prop-2-enoate?
The canonical SMILES for (E)-3-[3-[(2-chlorophenyl)methylsulfamoyl]-4-methoxyphenyl]prop-2-enoate is COc1ccc(/C=C/C(=O)[O-])cc1S(=O)(=O)NCc1ccccc1Cl.
What is the InChIKey of (E)-3-[3-[(2-chlorophenyl)methylsulfamoyl]-4-methoxyphenyl]prop-2-enoate?
The InChIKey is JAKLMFPLICIHEE-VQHVLOKHSA-M. The full InChI is InChI=1S/C17H16ClNO5S/c1-24-15-8-6-12(7-9-17(20)21)10-16(15)25(22,23)19-11-13-4-2-3-5-14(13)18/h2-10,19H,11H2,1H3,(H,20,21)/p-1/b9-7+.
What are the key properties of (E)-3-[3-[(2-chlorophenyl)methylsulfamoyl]-4-methoxyphenyl]prop-2-enoate?
(E)-3-[3-[(2-chlorophenyl)methylsulfamoyl]-4-methoxyphenyl]prop-2-enoate has a molecular weight of 380.83 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-[(2-chlorophenyl)methylsulfamoyl]-4-methoxyphenyl]prop-2-enoate is sourced from PubChem (CID 9160607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).