4-chloro-N-ethyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide

C16H13ClN2O4S — CID 15541218

IUPAC4-chloro-N-ethyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide
SMILESCCN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN2O4S/c1-2-19(24(21,22)12-9-7-11(17)8-10-12)16-18-14-6-4-3-5-13(14)15(20)23-16/h3-10H,2H2,1H3
InChIKeyVOCVGPVNQLFNDS-UHFFFAOYSA-N
MW364.81 g/mol
LogP3.06
Rot. Bonds4

About 4-chloro-N-ethyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide

4-chloro-N-ethyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide (PubChem CID 15541218) has the molecular formula C16H13ClN2O4S and a molecular weight of 364.81 g/mol. Its IUPAC name is 4-chloro-N-ethyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-ethyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide
PubChem CID15541218
Molecular FormulaC16H13ClN2O4S
Molecular Weight364.81 g/mol
Exact Mass364.03
IUPAC Name4-chloro-N-ethyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide
SMILESCCN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN2O4S/c1-2-19(24(21,22)12-9-7-11(17)8-10-12)16-18-14-6-4-3-5-13(14)15(20)23-16/h3-10H,2H2,1H3
InChIKeyVOCVGPVNQLFNDS-UHFFFAOYSA-N
XLogP3.06
TPSA80.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.81
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide
CID 15541226
5-[(5-chloro-1,3-benzoxazol-2-yl)-ethylsulfamoyl]-2-methylbenzoic acid
CID 69233539
4-chloro-N-methyl-N-(4-oxoquinazolin-3-yl)benzenesulfonamide
CID 2805383
3-(4-amino-2-oxoquinazolin-3-yl)-4-chloro-N-(4-chlorophenyl)-N-ethylbenzenesulfonamide;2,2,2-trifluoroacetic acid
CID 23120215
3,4-dichloro-N-ethyl-N-phenylbenzenesulfonamide
CID 2234505
(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 135729934
[(4-chlorophenyl)sulfonyl-[4-[ethyl-(4-methylphenyl)sulfonylamino]isoquinolin-1-yl]amino]methyl formate
CID 165027705
5-[(4-chlorophenyl)sulfonyl-ethylamino]pyridine-3-carboxylic acid
CID 5263641
N-butyl-N-[4-chloro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]benzenesulfonamide
CID 174618681
3-[N-(benzenesulfonyl)-4-chloroanilino]propanoic acid
CID 50890227
2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 92649203
4-chloro-N-methyl-N-[2-oxo-2-[2-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]hydrazinyl]ethyl]benzenesulfonamide
CID 135462126

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-ethyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide (CID 15541218) is 4-chloro-N-ethyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-ethyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-ethyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide is CCN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-ethyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide?
The InChIKey is VOCVGPVNQLFNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O4S/c1-2-19(24(21,22)12-9-7-11(17)8-10-12)16-18-14-6-4-3-5-13(14)15(20)23-16/h3-10H,2H2,1H3.
What are the key properties of 4-chloro-N-ethyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide?
4-chloro-N-ethyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide has a molecular weight of 364.81 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide is sourced from PubChem (CID 15541218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).