ethyl 2-[4-[benzyl-(4-chlorophenyl)sulfonylamino]phenyl]acetate

C23H22ClNO4S — CID 5090817

IUPACethyl 2-[4-[benzyl-(4-chlorophenyl)sulfonylamino]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H22ClNO4S/c1-2-29-23(26)16-18-8-12-21(13-9-18)25(17-19-6-4-3-5-7-19)30(27,28)22-14-10-20(24)11-15-22/h3-15H,2,16-17H2,1H3
InChIKeyCHPDXDJNMJLUAP-UHFFFAOYSA-N
MW443.95 g/mol
LogP4.84
Rot. Bonds8

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

ethyl 2-[4-[benzyl-(4-chlorophenyl)sulfonylamino]phenyl]acetate (PubChem CID 5090817) has the molecular formula C23H22ClNO4S and a molecular weight of 443.95 g/mol. Its IUPAC name is ethyl 2-[4-[benzyl-(4-chlorophenyl)sulfonylamino]phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[benzyl-(4-chlorophenyl)sulfonylamino]phenyl]acetate
PubChem CID5090817
Molecular FormulaC23H22ClNO4S
Molecular Weight443.95 g/mol
Exact Mass443.10
IUPAC Nameethyl 2-[4-[benzyl-(4-chlorophenyl)sulfonylamino]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H22ClNO4S/c1-2-29-23(26)16-18-8-12-21(13-9-18)25(17-19-6-4-3-5-7-19)30(27,28)22-14-10-20(24)11-15-22/h3-15H,2,16-17H2,1H3
InChIKeyCHPDXDJNMJLUAP-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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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[benzyl-(4-chlorophenyl)sulfonylamino]phenyl]acetate?
The IUPAC name of ethyl 2-[4-[benzyl-(4-chlorophenyl)sulfonylamino]phenyl]acetate (CID 5090817) is ethyl 2-[4-[benzyl-(4-chlorophenyl)sulfonylamino]phenyl]acetate.
What is the SMILES notation for ethyl 2-[4-[benzyl-(4-chlorophenyl)sulfonylamino]phenyl]acetate?
The canonical SMILES for ethyl 2-[4-[benzyl-(4-chlorophenyl)sulfonylamino]phenyl]acetate is CCOC(=O)Cc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of ethyl 2-[4-[benzyl-(4-chlorophenyl)sulfonylamino]phenyl]acetate?
The InChIKey is CHPDXDJNMJLUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClNO4S/c1-2-29-23(26)16-18-8-12-21(13-9-18)25(17-19-6-4-3-5-7-19)30(27,28)22-14-10-20(24)11-15-22/h3-15H,2,16-17H2,1H3.
What are the key properties of ethyl 2-[4-[benzyl-(4-chlorophenyl)sulfonylamino]phenyl]acetate?
ethyl 2-[4-[benzyl-(4-chlorophenyl)sulfonylamino]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-[benzyl-(4-chlorophenyl)sulfonylamino]phenyl]acetate is sourced from PubChem (CID 5090817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).