propyl 2-[6-[(3-chlorophenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate

C18H17ClN2O6S — CID 53051968

IUPACpropyl 2-[6-[(3-chlorophenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
SMILESCCCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc21
InChIInChI=1S/C18H17ClN2O6S/c1-2-8-26-17(22)11-21-15-7-6-14(10-16(15)27-18(21)23)28(24,25)20-13-5-3-4-12(19)9-13/h3-7,9-10,20H,2,8,11H2,1H3
InChIKeyXOPNLXHRTRRSCC-UHFFFAOYSA-N
MW424.86 g/mol
LogP3.00
Rot. Bonds7

About propyl 2-[6-[(3-chlorophenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate

propyl 2-[6-[(3-chlorophenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate (PubChem CID 53051968) has the molecular formula C18H17ClN2O6S and a molecular weight of 424.86 g/mol. Its IUPAC name is propyl 2-[6-[(3-chlorophenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate.

Molecular Properties

Compound Namepropyl 2-[6-[(3-chlorophenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
PubChem CID53051968
Molecular FormulaC18H17ClN2O6S
Molecular Weight424.86 g/mol
Exact Mass424.05
IUPAC Namepropyl 2-[6-[(3-chlorophenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
SMILESCCCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc21
InChIInChI=1S/C18H17ClN2O6S/c1-2-8-26-17(22)11-21-15-7-6-14(10-16(15)27-18(21)23)28(24,25)20-13-5-3-4-12(19)9-13/h3-7,9-10,20H,2,8,11H2,1H3
InChIKeyXOPNLXHRTRRSCC-UHFFFAOYSA-N
XLogP3.00
TPSA107.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.86
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze propyl 2-[6-[(3-chlorophenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[6-[(3-chlorophenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 53051808
propyl 2-[6-[(4-ethoxyphenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 53051993
propyl 2-[6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 53052022
3-chloro-N-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 46346447
N-[3-[(3-chlorophenyl)sulfamoyl]phenyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 30713122
methyl 2-[2-oxo-6-(pyridin-3-ylsulfamoyl)-1,3-benzoxazol-3-yl]acetate
CID 53051805
methyl 2-[6-[(4-chloro-2-fluorophenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 53051904
methyl 2-[6-[(4-fluorophenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 53051829
propyl 2-[6-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 53052002
ethyl 2-[6-[(2,4-difluorophenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 126457215
ethyl 2-[6-[(2,4-dimethoxyphenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 20866117
3-ethyl-N-(3-methylsulfanylphenyl)-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 92648252

Frequently Asked Questions

What is the IUPAC name of propyl 2-[6-[(3-chlorophenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate?
The IUPAC name of propyl 2-[6-[(3-chlorophenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate (CID 53051968) is propyl 2-[6-[(3-chlorophenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate.
What is the SMILES notation for propyl 2-[6-[(3-chlorophenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate?
The canonical SMILES for propyl 2-[6-[(3-chlorophenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate is CCCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc21.
What is the InChIKey of propyl 2-[6-[(3-chlorophenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate?
The InChIKey is XOPNLXHRTRRSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O6S/c1-2-8-26-17(22)11-21-15-7-6-14(10-16(15)27-18(21)23)28(24,25)20-13-5-3-4-12(19)9-13/h3-7,9-10,20H,2,8,11H2,1H3.
What are the key properties of propyl 2-[6-[(3-chlorophenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate?
propyl 2-[6-[(3-chlorophenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate has a molecular weight of 424.86 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[6-[(3-chlorophenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate is sourced from PubChem (CID 53051968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).