ethyl 2-[4-(benzenesulfonamido)phenyl]acetate

C16H17NO4S — CID 23333624

IUPACethyl 2-[4-(benzenesulfonamido)phenyl]acetate
SMILESCCOC(=O)Cc1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C16H17NO4S/c1-2-21-16(18)12-13-8-10-14(11-9-13)17-22(19,20)15-6-4-3-5-7-15/h3-11,17H,2,12H2,1H3
InChIKeyRPYCFKOCNAXROH-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.59
Rot. Bonds6

About ethyl 2-[4-(benzenesulfonamido)phenyl]acetate

ethyl 2-[4-(benzenesulfonamido)phenyl]acetate (PubChem CID 23333624) has the molecular formula C16H17NO4S and a molecular weight of 319.38 g/mol. Its IUPAC name is ethyl 2-[4-(benzenesulfonamido)phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(benzenesulfonamido)phenyl]acetate
PubChem CID23333624
Molecular FormulaC16H17NO4S
Molecular Weight319.38 g/mol
Exact Mass319.09
IUPAC Nameethyl 2-[4-(benzenesulfonamido)phenyl]acetate
SMILESCCOC(=O)Cc1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C16H17NO4S/c1-2-21-16(18)12-13-8-10-14(11-9-13)17-22(19,20)15-6-4-3-5-7-15/h3-11,17H,2,12H2,1H3
InChIKeyRPYCFKOCNAXROH-UHFFFAOYSA-N
XLogP2.59
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[4-[(4-bromophenyl)sulfonylamino]phenyl]acetate
CID 2416586
ethyl 2-[4-[(9,10-dioxoanthracen-2-yl)sulfonylamino]phenyl]acetate
CID 5011589
ethyl 2-[4-(benzenesulfonamido)phenoxy]acetate
CID 23470984
ethyl 2-phenylacetate
CID 7590
ethyl 2-phenylacetate;hydrate
CID 141257001
ethyl 2-[4-[(4-bromo-2-ethylphenyl)sulfonylamino]phenyl]acetate
CID 4984042
ethyl 4-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanoate
CID 102487727
N-[4-(3-oxobutyl)phenyl]benzenesulfonamide
CID 67020204
(2-amino-2-oxoethyl) 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetate
CID 7824604
ethyl 4-[2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetyl]piperazine-1-carboxylate
CID 30283129
ethyl 2-[3-[[4-(4-bromophenyl)phenyl]sulfonylamino]phenyl]acetate
CID 25095242
ethyl 2-[7-(benzenesulfonamido)-1,1-dioxo-2H-1λ6,4-benzothiazin-3-yl]acetate
CID 90972977

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(benzenesulfonamido)phenyl]acetate?
The IUPAC name of ethyl 2-[4-(benzenesulfonamido)phenyl]acetate (CID 23333624) is ethyl 2-[4-(benzenesulfonamido)phenyl]acetate.
What is the SMILES notation for ethyl 2-[4-(benzenesulfonamido)phenyl]acetate?
The canonical SMILES for ethyl 2-[4-(benzenesulfonamido)phenyl]acetate is CCOC(=O)Cc1ccc(NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of ethyl 2-[4-(benzenesulfonamido)phenyl]acetate?
The InChIKey is RPYCFKOCNAXROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4S/c1-2-21-16(18)12-13-8-10-14(11-9-13)17-22(19,20)15-6-4-3-5-7-15/h3-11,17H,2,12H2,1H3.
What are the key properties of ethyl 2-[4-(benzenesulfonamido)phenyl]acetate?
ethyl 2-[4-(benzenesulfonamido)phenyl]acetate has a molecular weight of 319.38 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(benzenesulfonamido)phenyl]acetate is sourced from PubChem (CID 23333624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).