2,5-dichloro-N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide

C22H33Cl2NO4S — CID 25023390

IUPAC2,5-dichloro-N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide
SMILESCC1CCC(NS(=O)(=O)c2cc(Cl)ccc2Cl)CCCCCCCCCCC(=O)O1
InChIInChI=1S/C22H33Cl2NO4S/c1-17-12-14-19(25-30(27,28)21-16-18(23)13-15-20(21)24)10-8-6-4-2-3-5-7-9-11-22(26)29-17/h13,15-17,19,25H,2-12,14H2,1H3
InChIKeyAKUPBHJAKBVOKI-UHFFFAOYSA-N
MW478.48 g/mol
LogP6.27
Rot. Bonds3

About 2,5-dichloro-N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide

2,5-dichloro-N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide (PubChem CID 25023390) has the molecular formula C22H33Cl2NO4S and a molecular weight of 478.48 g/mol. Its IUPAC name is 2,5-dichloro-N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide
PubChem CID25023390
Molecular FormulaC22H33Cl2NO4S
Molecular Weight478.48 g/mol
Exact Mass477.15
IUPAC Name2,5-dichloro-N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide
SMILESCC1CCC(NS(=O)(=O)c2cc(Cl)ccc2Cl)CCCCCCCCCCC(=O)O1
InChIInChI=1S/C22H33Cl2NO4S/c1-17-12-14-19(25-30(27,28)21-16-18(23)13-15-20(21)24)10-8-6-4-2-3-5-7-9-11-22(26)29-17/h13,15-17,19,25H,2-12,14H2,1H3
InChIKeyAKUPBHJAKBVOKI-UHFFFAOYSA-N
XLogP6.27
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.48
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide
CID 25023260
2,5-dichloro-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide
CID 25023322
2-chloro-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide
CID 25023324
N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide
CID 25023386
4-chloro-N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide
CID 25023388
2-chloro-N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide
CID 25023444
Ethyl 4-((2,5-dichlorophenylsulfonamido)methyl)cyclohexanecarboxylate
CID 155295832
Methyl 7-[(3-chloro-2-fluorophenyl)sulfonylamino]heptanoate
CID 39629886
Methyl 10-(4-chlorobenzenesulphonamido)decanoate
CID 20066951
Ethyl 2-[(2-chlorophenyl)sulfonylamino]hexanoate
CID 3811471
Methyl 3-cyclohexyl-2-[(2,5-dichlorophenyl)sulfonylamino]propanoate
CID 3873159
Ethyl 2-[(2,5-dichlorophenyl)sulfonylamino]hexanoate
CID 4982662

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide (CID 25023390) is 2,5-dichloro-N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide is CC1CCC(NS(=O)(=O)c2cc(Cl)ccc2Cl)CCCCCCCCCCC(=O)O1.
What is the InChIKey of 2,5-dichloro-N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide?
The InChIKey is AKUPBHJAKBVOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33Cl2NO4S/c1-17-12-14-19(25-30(27,28)21-16-18(23)13-15-20(21)24)10-8-6-4-2-3-5-7-9-11-22(26)29-17/h13,15-17,19,25H,2-12,14H2,1H3.
What are the key properties of 2,5-dichloro-N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide?
2,5-dichloro-N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide has a molecular weight of 478.48 g/mol, XLogP of 6.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide is sourced from PubChem (CID 25023390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).