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

C21H32ClNO4S — CID 25023260

IUPAC4-chloro-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide
SMILESO=C1CCCCCCCCCCC(NS(=O)(=O)c2ccc(Cl)cc2)CCCO1
InChIInChI=1S/C21H32ClNO4S/c22-18-13-15-20(16-14-18)28(25,26)23-19-10-7-5-3-1-2-4-6-8-12-21(24)27-17-9-11-19/h13-16,19,23H,1-12,17H2
InChIKeyZTFMPPZRMBYDMF-UHFFFAOYSA-N
MW430.01 g/mol
LogP5.22
Rot. Bonds3

About 4-chloro-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide

4-chloro-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide (PubChem CID 25023260) has the molecular formula C21H32ClNO4S and a molecular weight of 430.01 g/mol. Its IUPAC name is 4-chloro-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide
PubChem CID25023260
Molecular FormulaC21H32ClNO4S
Molecular Weight430.01 g/mol
Exact Mass429.17
IUPAC Name4-chloro-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide
SMILESO=C1CCCCCCCCCCC(NS(=O)(=O)c2ccc(Cl)cc2)CCCO1
InChIInChI=1S/C21H32ClNO4S/c22-18-13-15-20(16-14-18)28(25,26)23-19-10-7-5-3-1-2-4-6-8-12-21(24)27-17-9-11-19/h13-16,19,23H,1-12,17H2
InChIKeyZTFMPPZRMBYDMF-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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Related Compounds

6-{[(4-Chlorophenyl)sulfonyl]amino}hexanoic acid
CID 1965826
N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide
CID 25023258
2,5-dichloro-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide
CID 25023322
4-fluoro-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide
CID 25023323
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
2,5-dichloro-N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide
CID 25023390
4-fluoro-N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide
CID 25023443
2-chloro-N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide
CID 25023444
8-(4-Chlorobenzenesulphonamido)-octanoic acid
CID 20066940
8-(4-Chlorobenzenesulphonamido)-2,2-dimethyloctanoic Acid
CID 20066954

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide (CID 25023260) is 4-chloro-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide is O=C1CCCCCCCCCCC(NS(=O)(=O)c2ccc(Cl)cc2)CCCO1.
What is the InChIKey of 4-chloro-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide?
The InChIKey is ZTFMPPZRMBYDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32ClNO4S/c22-18-13-15-20(16-14-18)28(25,26)23-19-10-7-5-3-1-2-4-6-8-12-21(24)27-17-9-11-19/h13-16,19,23H,1-12,17H2.
What are the key properties of 4-chloro-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide?
4-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 4-chloro-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide is sourced from PubChem (CID 25023260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).