ethyl N-[3-[(4-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]carbamate

C19H22ClN3O5S — CID 4072808

IUPACethyl N-[3-[(4-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]carbamate
SMILESCCOC(=O)Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H22ClN3O5S/c1-2-28-19(24)21-16-7-8-17(23-9-11-27-12-10-23)18(13-16)29(25,26)22-15-5-3-14(20)4-6-15/h3-8,13,22H,2,9-12H2,1H3,(H,21,24)
InChIKeyZXWULUBXKJFRPR-UHFFFAOYSA-N
MW439.92 g/mol
LogP3.55
Rot. Bonds6

About ethyl N-[3-[(4-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]carbamate

ethyl N-[3-[(4-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]carbamate (PubChem CID 4072808) has the molecular formula C19H22ClN3O5S and a molecular weight of 439.92 g/mol. Its IUPAC name is ethyl N-[3-[(4-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-[(4-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]carbamate
PubChem CID4072808
Molecular FormulaC19H22ClN3O5S
Molecular Weight439.92 g/mol
Exact Mass439.10
IUPAC Nameethyl N-[3-[(4-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]carbamate
SMILESCCOC(=O)Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H22ClN3O5S/c1-2-28-19(24)21-16-7-8-17(23-9-11-27-12-10-23)18(13-16)29(25,26)22-15-5-3-14(20)4-6-15/h3-8,13,22H,2,9-12H2,1H3,(H,21,24)
InChIKeyZXWULUBXKJFRPR-UHFFFAOYSA-N
XLogP3.55
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.92
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-[(4-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]carbamate?
The IUPAC name of ethyl N-[3-[(4-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]carbamate (CID 4072808) is ethyl N-[3-[(4-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]carbamate.
What is the SMILES notation for ethyl N-[3-[(4-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]carbamate?
The canonical SMILES for ethyl N-[3-[(4-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]carbamate is CCOC(=O)Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of ethyl N-[3-[(4-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]carbamate?
The InChIKey is ZXWULUBXKJFRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O5S/c1-2-28-19(24)21-16-7-8-17(23-9-11-27-12-10-23)18(13-16)29(25,26)22-15-5-3-14(20)4-6-15/h3-8,13,22H,2,9-12H2,1H3,(H,21,24).
What are the key properties of ethyl N-[3-[(4-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]carbamate?
ethyl N-[3-[(4-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]carbamate has a molecular weight of 439.92 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-[(4-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]carbamate is sourced from PubChem (CID 4072808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).