ethyl 2-[4-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]phenyl]acetate

C23H22ClNO4S — CID 4184900

IUPACethyl 2-[4-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H22ClNO4S/c1-2-29-23(26)16-18-10-14-21(15-11-18)25(17-19-8-12-20(24)13-9-19)30(27,28)22-6-4-3-5-7-22/h3-15H,2,16-17H2,1H3
InChIKeyMUARIDJAPVPHRZ-UHFFFAOYSA-N
MW443.95 g/mol
LogP4.84
Rot. Bonds8

About ethyl 2-[4-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]phenyl]acetate

ethyl 2-[4-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]phenyl]acetate (PubChem CID 4184900) has the molecular formula C23H22ClNO4S and a molecular weight of 443.95 g/mol. Its IUPAC name is ethyl 2-[4-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]phenyl]acetate
PubChem CID4184900
Molecular FormulaC23H22ClNO4S
Molecular Weight443.95 g/mol
Exact Mass443.10
IUPAC Nameethyl 2-[4-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H22ClNO4S/c1-2-29-23(26)16-18-10-14-21(15-11-18)25(17-19-8-12-20(24)13-9-19)30(27,28)22-6-4-3-5-7-22/h3-15H,2,16-17H2,1H3
InChIKeyMUARIDJAPVPHRZ-UHFFFAOYSA-N
XLogP4.84
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.95
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl {4-[[(4-chlorophenyl)sulfonyl](2-fluorobenzyl)amino]phenyl}acetate
CID 3407589
Methyl (4-{(2-fluorobenzyl)[(4-methylphenyl)sulfonyl]amino}phenyl)acetate
CID 3407594
Ethyl 2-[4-[(2,5-dichlorophenyl)sulfonyl-ethylamino]phenyl]acetate
CID 164616003
Ethyl 2-(4-chlorophenyl)-2-(4-sulfamoylanilino)acetate
CID 164621079
Ethyl 2-[4-[3-(4-chlorophenyl)propylamino]phenyl]acetate
CID 20331106
2-[4-[(2,5-Dichlorophenyl)sulfonyl-ethylamino]phenyl]acetic acid
CID 164611385
2-(3-But-3-ynyldiazirin-3-yl)ethyl 2-[4-[(2,5-dichlorophenyl)sulfonyl-ethylamino]phenyl]acetate
CID 164621514
2-[4-[4-[(2,6-Dichlorophenyl)sulfonyl-(2-methylpropyl)amino]phenyl]phenyl]acetic acid
CID 177371413
2-[3-[4-[(2,6-Dichlorophenyl)sulfonyl-(2-methylpropyl)amino]phenyl]phenyl]acetic acid
CID 177371414
1-[4-[4-[(2,6-Dichlorophenyl)sulfonyl-(2-methylpropyl)amino]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 177371415
3-[4-[4-[(2,6-Dichlorophenyl)sulfonyl-(2-methylpropyl)amino]phenyl]phenyl]propanoic acid
CID 177371417
Ethyl 2-(4-{[(4-chlorophenyl)methyl]amino}phenyl)acetate
CID 5127211

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]phenyl]acetate?
The IUPAC name of ethyl 2-[4-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]phenyl]acetate (CID 4184900) is ethyl 2-[4-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]phenyl]acetate.
What is the SMILES notation for ethyl 2-[4-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]phenyl]acetate?
The canonical SMILES for ethyl 2-[4-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]phenyl]acetate is CCOC(=O)Cc1ccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of ethyl 2-[4-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]phenyl]acetate?
The InChIKey is MUARIDJAPVPHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClNO4S/c1-2-29-23(26)16-18-10-14-21(15-11-18)25(17-19-8-12-20(24)13-9-19)30(27,28)22-6-4-3-5-7-22/h3-15H,2,16-17H2,1H3.
What are the key properties of ethyl 2-[4-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]phenyl]acetate?
ethyl 2-[4-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]phenyl]acetate has a molecular weight of 443.95 g/mol, XLogP of 4.84, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]phenyl]acetate is sourced from PubChem (CID 4184900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).