methyl 3-[2-(benzenesulfonamido)-5-ethylphenyl]prop-2-enoate

C18H19NO4S — CID 54155813

IUPACmethyl 3-[2-(benzenesulfonamido)-5-ethylphenyl]prop-2-enoate
SMILESCCc1ccc(NS(=O)(=O)c2ccccc2)c(C=CC(=O)OC)c1
InChIInChI=1S/C18H19NO4S/c1-3-14-9-11-17(15(13-14)10-12-18(20)23-2)19-24(21,22)16-7-5-4-6-8-16/h4-13,19H,3H2,1-2H3
InChIKeyOKYQFBHAXFLRFN-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.24
Rot. Bonds6

About methyl 3-[2-(benzenesulfonamido)-5-ethylphenyl]prop-2-enoate

methyl 3-[2-(benzenesulfonamido)-5-ethylphenyl]prop-2-enoate (PubChem CID 54155813) has the molecular formula C18H19NO4S and a molecular weight of 345.42 g/mol. Its IUPAC name is methyl 3-[2-(benzenesulfonamido)-5-ethylphenyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-[2-(benzenesulfonamido)-5-ethylphenyl]prop-2-enoate
PubChem CID54155813
Molecular FormulaC18H19NO4S
Molecular Weight345.42 g/mol
Exact Mass345.10
IUPAC Namemethyl 3-[2-(benzenesulfonamido)-5-ethylphenyl]prop-2-enoate
SMILESCCc1ccc(NS(=O)(=O)c2ccccc2)c(C=CC(=O)OC)c1
InChIInChI=1S/C18H19NO4S/c1-3-14-9-11-17(15(13-14)10-12-18(20)23-2)19-24(21,22)16-7-5-4-6-8-16/h4-13,19H,3H2,1-2H3
InChIKeyOKYQFBHAXFLRFN-UHFFFAOYSA-N
XLogP3.24
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.24
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 (E)-3-[2-(benzenesulfonamido)-4-chlorophenyl]prop-2-enoate
CID 11371593
methyl (E)-3-(5-ethyl-2-fluorophenyl)prop-2-enoate
CID 89360118
methyl 3-[4-(benzenesulfonamido)phenyl]prop-2-enoate
CID 67019618
methyl (E)-3-[2-[(3,4-dichlorophenyl)sulfonylamino]phenyl]prop-2-enoate
CID 59820149
3-[2-(benzenesulfonamido)phenyl]prop-2-enoic acid
CID 70280220
methyl (Z)-3-(3-ethylphenyl)prop-2-enoate
CID 97305033
methyl (Z)-3-[2-[(methyl-oxo-phenyl-λ6-sulfanylidene)amino]phenyl]prop-2-enoate
CID 12066527
methyl (E)-3-[4-bromo-2-(phenylsulfamoyl)phenyl]prop-2-enoate
CID 59613909
2-[(3-chlorophenyl)sulfonylamino]-5-ethylbenzoic acid
CID 11724797
[2-(benzenesulfonamido)phenyl] propanoate
CID 68830136
methyl 2-(benzenesulfonamido)-5-benzylsulfanylbenzoate
CID 122622654
methyl 3-[(2-iodophenyl)sulfamoyl]benzoate
CID 31699712

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(benzenesulfonamido)-5-ethylphenyl]prop-2-enoate?
The IUPAC name of methyl 3-[2-(benzenesulfonamido)-5-ethylphenyl]prop-2-enoate (CID 54155813) is methyl 3-[2-(benzenesulfonamido)-5-ethylphenyl]prop-2-enoate.
What is the SMILES notation for methyl 3-[2-(benzenesulfonamido)-5-ethylphenyl]prop-2-enoate?
The canonical SMILES for methyl 3-[2-(benzenesulfonamido)-5-ethylphenyl]prop-2-enoate is CCc1ccc(NS(=O)(=O)c2ccccc2)c(C=CC(=O)OC)c1.
What is the InChIKey of methyl 3-[2-(benzenesulfonamido)-5-ethylphenyl]prop-2-enoate?
The InChIKey is OKYQFBHAXFLRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4S/c1-3-14-9-11-17(15(13-14)10-12-18(20)23-2)19-24(21,22)16-7-5-4-6-8-16/h4-13,19H,3H2,1-2H3.
What are the key properties of methyl 3-[2-(benzenesulfonamido)-5-ethylphenyl]prop-2-enoate?
methyl 3-[2-(benzenesulfonamido)-5-ethylphenyl]prop-2-enoate has a molecular weight of 345.42 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(benzenesulfonamido)-5-ethylphenyl]prop-2-enoate is sourced from PubChem (CID 54155813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).