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

C16H13ClN2O6S — CID 53051808

IUPACmethyl 2-[6-[(3-chlorophenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
SMILESCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc21
InChIInChI=1S/C16H13ClN2O6S/c1-24-15(20)9-19-13-6-5-12(8-14(13)25-16(19)21)26(22,23)18-11-4-2-3-10(17)7-11/h2-8,18H,9H2,1H3
InChIKeyMKKHZPKIGRGQGT-UHFFFAOYSA-N
MW396.81 g/mol
LogP2.22
Rot. Bonds5

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

methyl 2-[6-[(3-chlorophenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate (PubChem CID 53051808) has the molecular formula C16H13ClN2O6S and a molecular weight of 396.81 g/mol. Its IUPAC name is methyl 2-[6-[(3-chlorophenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[6-[(3-chlorophenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
PubChem CID53051808
Molecular FormulaC16H13ClN2O6S
Molecular Weight396.81 g/mol
Exact Mass396.02
IUPAC Namemethyl 2-[6-[(3-chlorophenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
SMILESCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc21
InChIInChI=1S/C16H13ClN2O6S/c1-24-15(20)9-19-13-6-5-12(8-14(13)25-16(19)21)26(22,23)18-11-4-2-3-10(17)7-11/h2-8,18H,9H2,1H3
InChIKeyMKKHZPKIGRGQGT-UHFFFAOYSA-N
XLogP2.22
TPSA107.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.81
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

propyl 2-[6-[(3-chlorophenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 53051968
methyl 2-[6-[(4-chloro-2-fluorophenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 53051904
methyl 2-[2-oxo-6-(pyridin-3-ylsulfamoyl)-1,3-benzoxazol-3-yl]acetate
CID 53051805
methyl 2-[6-[(4-fluorophenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 53051829
N-[3-[(3-chlorophenyl)sulfamoyl]phenyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 30713122
methyl 2-[2-oxo-6-[[4-(trifluoromethoxy)phenyl]sulfamoyl]-1,3-benzoxazol-3-yl]acetate
CID 53051912
methyl 2-[6-[(2,5-difluorophenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 53051796
methyl 2-[6-[(5-methyl-2-pyridinyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 53051804
methyl 2-[2-oxo-6-[[(2S)-2-phenylpropyl]sulfamoyl]-1,3-benzoxazol-3-yl]acetate
CID 95063550
3-chloro-N-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 46346447
methyl 2-[6-[(5-methylfuran-2-yl)methylsulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 53051909
3-chloro-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-4-methoxybenzenesulfonamide
CID 46346405

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-[(3-chlorophenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate?
The IUPAC name of methyl 2-[6-[(3-chlorophenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate (CID 53051808) is methyl 2-[6-[(3-chlorophenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate.
What is the SMILES notation for methyl 2-[6-[(3-chlorophenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate?
The canonical SMILES for methyl 2-[6-[(3-chlorophenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate is COC(=O)Cn1c(=O)oc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc21.
What is the InChIKey of methyl 2-[6-[(3-chlorophenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate?
The InChIKey is MKKHZPKIGRGQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O6S/c1-24-15(20)9-19-13-6-5-12(8-14(13)25-16(19)21)26(22,23)18-11-4-2-3-10(17)7-11/h2-8,18H,9H2,1H3.
What are the key properties of methyl 2-[6-[(3-chlorophenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate?
methyl 2-[6-[(3-chlorophenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate has a molecular weight of 396.81 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-[(3-chlorophenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate is sourced from PubChem (CID 53051808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).