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

C21H31Cl2NO4S — CID 25023322

IUPAC2,5-dichloro-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide
SMILESO=C1CCCCCCCCCCC(NS(=O)(=O)c2cc(Cl)ccc2Cl)CCCO1
InChIInChI=1S/C21H31Cl2NO4S/c22-17-13-14-19(23)20(16-17)29(26,27)24-18-10-7-5-3-1-2-4-6-8-12-21(25)28-15-9-11-18/h13-14,16,18,24H,1-12,15H2
InChIKeyQSMOGZBEEKSEPK-UHFFFAOYSA-N
MW464.46 g/mol
LogP5.88
Rot. Bonds3

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

2,5-dichloro-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide (PubChem CID 25023322) has the molecular formula C21H31Cl2NO4S and a molecular weight of 464.46 g/mol. Its IUPAC name is 2,5-dichloro-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide
PubChem CID25023322
Molecular FormulaC21H31Cl2NO4S
Molecular Weight464.46 g/mol
Exact Mass463.14
IUPAC Name2,5-dichloro-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide
SMILESO=C1CCCCCCCCCCC(NS(=O)(=O)c2cc(Cl)ccc2Cl)CCCO1
InChIInChI=1S/C21H31Cl2NO4S/c22-17-13-14-19(23)20(16-17)29(26,27)24-18-10-7-5-3-1-2-4-6-8-12-21(25)28-15-9-11-18/h13-14,16,18,24H,1-12,15H2
InChIKeyQSMOGZBEEKSEPK-UHFFFAOYSA-N
XLogP5.88
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.46
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide (CID 25023322) is 2,5-dichloro-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide is O=C1CCCCCCCCCCC(NS(=O)(=O)c2cc(Cl)ccc2Cl)CCCO1.
What is the InChIKey of 2,5-dichloro-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide?
The InChIKey is QSMOGZBEEKSEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31Cl2NO4S/c22-17-13-14-19(23)20(16-17)29(26,27)24-18-10-7-5-3-1-2-4-6-8-12-21(25)28-15-9-11-18/h13-14,16,18,24H,1-12,15H2.
What are the key properties of 2,5-dichloro-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide?
2,5-dichloro-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide has a molecular weight of 464.46 g/mol, XLogP of 5.88, 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-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide is sourced from PubChem (CID 25023322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).