4-[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)ethoxy]-N,N-dimethylbenzenesulfonamide

C17H17ClN2O5S — CID 17443923

IUPAC4-[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)ethoxy]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(OCCn2c(=O)oc3cc(Cl)ccc32)cc1
InChIInChI=1S/C17H17ClN2O5S/c1-19(2)26(22,23)14-6-4-13(5-7-14)24-10-9-20-15-8-3-12(18)11-16(15)25-17(20)21/h3-8,11H,9-10H2,1-2H3
InChIKeyCWJNNZKYBXBVMI-UHFFFAOYSA-N
MW396.85 g/mol
LogP2.58
Rot. Bonds6

About 4-[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)ethoxy]-N,N-dimethylbenzenesulfonamide

4-[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)ethoxy]-N,N-dimethylbenzenesulfonamide (PubChem CID 17443923) has the molecular formula C17H17ClN2O5S and a molecular weight of 396.85 g/mol. Its IUPAC name is 4-[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)ethoxy]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)ethoxy]-N,N-dimethylbenzenesulfonamide
PubChem CID17443923
Molecular FormulaC17H17ClN2O5S
Molecular Weight396.85 g/mol
Exact Mass396.05
IUPAC Name4-[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)ethoxy]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(OCCn2c(=O)oc3cc(Cl)ccc32)cc1
InChIInChI=1S/C17H17ClN2O5S/c1-19(2)26(22,23)14-6-4-13(5-7-14)24-10-9-20-15-8-3-12(18)11-16(15)25-17(20)21/h3-8,11H,9-10H2,1-2H3
InChIKeyCWJNNZKYBXBVMI-UHFFFAOYSA-N
XLogP2.58
TPSA81.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.85
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]-N,N-dimethylbenzenesulfonamide
CID 39969093
3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 9425254
3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[4-(diethylsulfamoyl)phenyl]propanamide
CID 17308490
N-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propyl]methanesulfonamide
CID 154747701
4-[2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]ethoxy]-N,N-dimethylbenzenesulfonamide
CID 24556959
4-[2-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]ethoxy]-N,N-dimethylbenzenesulfonamide
CID 38518687
N,N-dimethyl-4-[2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)ethoxy]benzenesulfonamide
CID 48730206
3-[2-(4-chloro-3-methylphenoxy)ethyl]-1,3-benzoxazol-2-one
CID 33276536
2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2,5-dichlorobenzoate
CID 39412489
6-chloro-3-(3-iodoprop-2-ynyl)-1,3-benzoxazol-2-one
CID 19900716
3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]propanamide
CID 16565987
ethyl 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 121014059

Frequently Asked Questions

What is the IUPAC name of 4-[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)ethoxy]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)ethoxy]-N,N-dimethylbenzenesulfonamide (CID 17443923) is 4-[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)ethoxy]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)ethoxy]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)ethoxy]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(OCCn2c(=O)oc3cc(Cl)ccc32)cc1.
What is the InChIKey of 4-[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)ethoxy]-N,N-dimethylbenzenesulfonamide?
The InChIKey is CWJNNZKYBXBVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O5S/c1-19(2)26(22,23)14-6-4-13(5-7-14)24-10-9-20-15-8-3-12(18)11-16(15)25-17(20)21/h3-8,11H,9-10H2,1-2H3.
What are the key properties of 4-[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)ethoxy]-N,N-dimethylbenzenesulfonamide?
4-[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)ethoxy]-N,N-dimethylbenzenesulfonamide has a molecular weight of 396.85 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)ethoxy]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 17443923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).