2-chloro-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide

C21H32ClNO4S — CID 25023324

IUPAC2-chloro-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide
SMILESO=C1CCCCCCCCCCC(NS(=O)(=O)c2ccccc2Cl)CCCO1
InChIInChI=1S/C21H32ClNO4S/c22-19-14-9-10-15-20(19)28(25,26)23-18-12-7-5-3-1-2-4-6-8-16-21(24)27-17-11-13-18/h9-10,14-15,18,23H,1-8,11-13,16-17H2
InChIKeyRXYXJLBZVBQLGS-UHFFFAOYSA-N
MW430.01 g/mol
LogP5.22
Rot. Bonds3

About 2-chloro-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide

2-chloro-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide (PubChem CID 25023324) has the molecular formula C21H32ClNO4S and a molecular weight of 430.01 g/mol. Its IUPAC name is 2-chloro-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide
PubChem CID25023324
Molecular FormulaC21H32ClNO4S
Molecular Weight430.01 g/mol
Exact Mass429.17
IUPAC Name2-chloro-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide
SMILESO=C1CCCCCCCCCCC(NS(=O)(=O)c2ccccc2Cl)CCCO1
InChIInChI=1S/C21H32ClNO4S/c22-19-14-9-10-15-20(19)28(25,26)23-18-12-7-5-3-1-2-4-6-8-16-21(24)27-17-11-13-18/h9-10,14-15,18,23H,1-8,11-13,16-17H2
InChIKeyRXYXJLBZVBQLGS-UHFFFAOYSA-N
XLogP5.22
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.01
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide (CID 25023324) is 2-chloro-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide is O=C1CCCCCCCCCCC(NS(=O)(=O)c2ccccc2Cl)CCCO1.
What is the InChIKey of 2-chloro-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide?
The InChIKey is RXYXJLBZVBQLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32ClNO4S/c22-19-14-9-10-15-20(19)28(25,26)23-18-12-7-5-3-1-2-4-6-8-16-21(24)27-17-11-13-18/h9-10,14-15,18,23H,1-8,11-13,16-17H2.
What are the key properties of 2-chloro-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide?
2-chloro-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide has a molecular weight of 430.01 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide is sourced from PubChem (CID 25023324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).