2-(3-chlorophenoxy)ethyl 3-(cyclopropylsulfamoyl)benzoate

C18H18ClNO5S — CID 55475628

IUPAC2-(3-chlorophenoxy)ethyl 3-(cyclopropylsulfamoyl)benzoate
SMILESO=C(OCCOc1cccc(Cl)c1)c1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C18H18ClNO5S/c19-14-4-2-5-16(12-14)24-9-10-25-18(21)13-3-1-6-17(11-13)26(22,23)20-15-7-8-15/h1-6,11-12,15,20H,7-10H2
InChIKeyIUXBAMNNDJRIJT-UHFFFAOYSA-N
MW395.86 g/mol
LogP3.02
Rot. Bonds8

About 2-(3-chlorophenoxy)ethyl 3-(cyclopropylsulfamoyl)benzoate

2-(3-chlorophenoxy)ethyl 3-(cyclopropylsulfamoyl)benzoate (PubChem CID 55475628) has the molecular formula C18H18ClNO5S and a molecular weight of 395.86 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)ethyl 3-(cyclopropylsulfamoyl)benzoate.

Molecular Properties

Compound Name2-(3-chlorophenoxy)ethyl 3-(cyclopropylsulfamoyl)benzoate
PubChem CID55475628
Molecular FormulaC18H18ClNO5S
Molecular Weight395.86 g/mol
Exact Mass395.06
IUPAC Name2-(3-chlorophenoxy)ethyl 3-(cyclopropylsulfamoyl)benzoate
SMILESO=C(OCCOc1cccc(Cl)c1)c1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C18H18ClNO5S/c19-14-4-2-5-16(12-14)24-9-10-25-18(21)13-3-1-6-17(11-13)26(22,23)20-15-7-8-15/h1-6,11-12,15,20H,7-10H2
InChIKeyIUXBAMNNDJRIJT-UHFFFAOYSA-N
XLogP3.02
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.86
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-methylphenoxy)ethyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate
CID 8672225
(2-ethoxyphenyl)methyl 3-(cyclopropylsulfamoyl)benzoate
CID 35586379
4-(1,3-dioxoisoindol-2-yl)butyl 3-(cyclopropylsulfamoyl)benzoate
CID 46535308
N-[3-(3-chlorophenoxy)propyl]-3-[4-(cyclopropylsulfamoyl)phenyl]-N-methylpropanamide
CID 55956173
2-(3-chlorophenoxy)ethyl 4-(2-amino-2-oxoethoxy)benzoate
CID 18092671
2-(3-methylphenoxy)ethyl 4-(methylsulfamoyl)benzoate
CID 46670090
3-(cyclopropylsulfamoyl)-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 27174310
[4-(2-phenoxyethoxycarbonyl)phenyl] 3-chlorobenzoate
CID 17151501
N-(5-chloro-2-fluorophenyl)-3-(cyclopropylsulfamoyl)benzamide
CID 94006212
2-(3-methylphenoxy)ethyl 3-(benzenesulfonamido)benzoate
CID 7571434
N-(5-chloro-2-propoxyphenyl)-3-(cyclopentylsulfamoyl)benzamide
CID 55896659
[1-oxo-1-(2,4,5-trichloroanilino)propan-2-yl] 3-(cyclopropylsulfamoyl)benzoate
CID 46809147

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)ethyl 3-(cyclopropylsulfamoyl)benzoate?
The IUPAC name of 2-(3-chlorophenoxy)ethyl 3-(cyclopropylsulfamoyl)benzoate (CID 55475628) is 2-(3-chlorophenoxy)ethyl 3-(cyclopropylsulfamoyl)benzoate.
What is the SMILES notation for 2-(3-chlorophenoxy)ethyl 3-(cyclopropylsulfamoyl)benzoate?
The canonical SMILES for 2-(3-chlorophenoxy)ethyl 3-(cyclopropylsulfamoyl)benzoate is O=C(OCCOc1cccc(Cl)c1)c1cccc(S(=O)(=O)NC2CC2)c1.
What is the InChIKey of 2-(3-chlorophenoxy)ethyl 3-(cyclopropylsulfamoyl)benzoate?
The InChIKey is IUXBAMNNDJRIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO5S/c19-14-4-2-5-16(12-14)24-9-10-25-18(21)13-3-1-6-17(11-13)26(22,23)20-15-7-8-15/h1-6,11-12,15,20H,7-10H2.
What are the key properties of 2-(3-chlorophenoxy)ethyl 3-(cyclopropylsulfamoyl)benzoate?
2-(3-chlorophenoxy)ethyl 3-(cyclopropylsulfamoyl)benzoate has a molecular weight of 395.86 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)ethyl 3-(cyclopropylsulfamoyl)benzoate is sourced from PubChem (CID 55475628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).