3-chloro-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-4-methoxybenzenesulfonamide

C16H15ClN2O5S — CID 46346405

IUPAC3-chloro-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-4-methoxybenzenesulfonamide
SMILESCCn1c(=O)oc2cc(NS(=O)(=O)c3ccc(OC)c(Cl)c3)ccc21
InChIInChI=1S/C16H15ClN2O5S/c1-3-19-13-6-4-10(8-15(13)24-16(19)20)18-25(21,22)11-5-7-14(23-2)12(17)9-11/h4-9,18H,3H2,1-2H3
InChIKeySMCWRPYCKGVQKG-UHFFFAOYSA-N
MW382.83 g/mol
LogP3.08
Rot. Bonds5

About 3-chloro-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-4-methoxybenzenesulfonamide

3-chloro-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-4-methoxybenzenesulfonamide (PubChem CID 46346405) has the molecular formula C16H15ClN2O5S and a molecular weight of 382.83 g/mol. Its IUPAC name is 3-chloro-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-4-methoxybenzenesulfonamide
PubChem CID46346405
Molecular FormulaC16H15ClN2O5S
Molecular Weight382.83 g/mol
Exact Mass382.04
IUPAC Name3-chloro-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-4-methoxybenzenesulfonamide
SMILESCCn1c(=O)oc2cc(NS(=O)(=O)c3ccc(OC)c(Cl)c3)ccc21
InChIInChI=1S/C16H15ClN2O5S/c1-3-19-13-6-4-10(8-15(13)24-16(19)20)18-25(21,22)11-5-7-14(23-2)12(17)9-11/h4-9,18H,3H2,1-2H3
InChIKeySMCWRPYCKGVQKG-UHFFFAOYSA-N
XLogP3.08
TPSA90.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.83
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dimethoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 20962046
3-chloro-4-methoxy-N-(2-oxo-3H-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 110350533
3-chloro-N-(4-ethylsulfonylphenyl)-4-methoxybenzenesulfonamide
CID 39829723
3-ethyl-N-(3-methylsulfanylphenyl)-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 92648252
3-chloro-N-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 46346447
3-ethyl-N-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 92648195
3-ethyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,3-benzoxazole-6-sulfonamide
CID 92648237
methyl 2-[6-[(4-fluorophenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 53051829
methyl 2-[6-[(3-chlorophenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 53051808
3-chloro-N-(1-ethyl-2-oxo-3H-indol-5-yl)-4-methoxybenzenesulfonamide
CID 41342461
N-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 46346439
5-chloro-2-methoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 20962051

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-4-methoxybenzenesulfonamide?
The IUPAC name of 3-chloro-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-4-methoxybenzenesulfonamide (CID 46346405) is 3-chloro-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-chloro-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-4-methoxybenzenesulfonamide is CCn1c(=O)oc2cc(NS(=O)(=O)c3ccc(OC)c(Cl)c3)ccc21.
What is the InChIKey of 3-chloro-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-4-methoxybenzenesulfonamide?
The InChIKey is SMCWRPYCKGVQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O5S/c1-3-19-13-6-4-10(8-15(13)24-16(19)20)18-25(21,22)11-5-7-14(23-2)12(17)9-11/h4-9,18H,3H2,1-2H3.
What are the key properties of 3-chloro-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-4-methoxybenzenesulfonamide?
3-chloro-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-4-methoxybenzenesulfonamide has a molecular weight of 382.83 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 46346405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).