ethyl 2-[4-[(4-bromophenyl)sulfonylamino]phenyl]acetate

C16H16BrNO4S — CID 2416586

IUPACethyl 2-[4-[(4-bromophenyl)sulfonylamino]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C16H16BrNO4S/c1-2-22-16(19)11-12-3-7-14(8-4-12)18-23(20,21)15-9-5-13(17)6-10-15/h3-10,18H,2,11H2,1H3
InChIKeyNCWOWIHORIAEJZ-UHFFFAOYSA-N
MW398.28 g/mol
LogP3.36
Rot. Bonds6

About ethyl 2-[4-[(4-bromophenyl)sulfonylamino]phenyl]acetate

ethyl 2-[4-[(4-bromophenyl)sulfonylamino]phenyl]acetate (PubChem CID 2416586) has the molecular formula C16H16BrNO4S and a molecular weight of 398.28 g/mol. Its IUPAC name is ethyl 2-[4-[(4-bromophenyl)sulfonylamino]phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[(4-bromophenyl)sulfonylamino]phenyl]acetate
PubChem CID2416586
Molecular FormulaC16H16BrNO4S
Molecular Weight398.28 g/mol
Exact Mass397.00
IUPAC Nameethyl 2-[4-[(4-bromophenyl)sulfonylamino]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C16H16BrNO4S/c1-2-22-16(19)11-12-3-7-14(8-4-12)18-23(20,21)15-9-5-13(17)6-10-15/h3-10,18H,2,11H2,1H3
InChIKeyNCWOWIHORIAEJZ-UHFFFAOYSA-N
XLogP3.36
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.28
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[4-(benzenesulfonamido)phenyl]acetate
CID 23333624
ethyl 2-[4-[(4-bromo-2-ethylphenyl)sulfonylamino]phenyl]acetate
CID 4984042
ethyl 2-[3-[[4-(4-bromophenyl)phenyl]sulfonylamino]phenyl]acetate
CID 25095242
ethyl 2-[4-[(9,10-dioxoanthracen-2-yl)sulfonylamino]phenyl]acetate
CID 5011589
ethyl 2-[4-[[2-[(4-bromophenyl)sulfonylamino]-3-methylsulfonyloxypropanoyl]amino]phenyl]acetate
CID 19032738
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)acetamide
CID 92673900
ethyl 4-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanoate
CID 102487727
4-(bromomethyl)-N-(4-bromophenyl)benzenesulfonamide
CID 65480206
4-bromo-N-[4-(bromomethyl)phenyl]benzenesulfonamide
CID 113271541
[2-(ethoxycarbonylamino)-2-oxoethyl] 4-[(4-bromophenyl)sulfonylamino]benzoate
CID 30515965
(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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(4-bromophenyl)sulfonylamino]phenyl]acetate?
The IUPAC name of ethyl 2-[4-[(4-bromophenyl)sulfonylamino]phenyl]acetate (CID 2416586) is ethyl 2-[4-[(4-bromophenyl)sulfonylamino]phenyl]acetate.
What is the SMILES notation for ethyl 2-[4-[(4-bromophenyl)sulfonylamino]phenyl]acetate?
The canonical SMILES for ethyl 2-[4-[(4-bromophenyl)sulfonylamino]phenyl]acetate is CCOC(=O)Cc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of ethyl 2-[4-[(4-bromophenyl)sulfonylamino]phenyl]acetate?
The InChIKey is NCWOWIHORIAEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO4S/c1-2-22-16(19)11-12-3-7-14(8-4-12)18-23(20,21)15-9-5-13(17)6-10-15/h3-10,18H,2,11H2,1H3.
What are the key properties of ethyl 2-[4-[(4-bromophenyl)sulfonylamino]phenyl]acetate?
ethyl 2-[4-[(4-bromophenyl)sulfonylamino]phenyl]acetate has a molecular weight of 398.28 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(4-bromophenyl)sulfonylamino]phenyl]acetate is sourced from PubChem (CID 2416586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).