4-methyl-N-(16-oxo-azacyclohexadec-5-yl)benzenesulfonamide

C22H36N2O3S — CID 25023501

IUPAC4-methyl-N-(16-oxo-azacyclohexadec-5-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCCCCCCCCCC(=O)NCCC2)cc1
InChIInChI=1S/C22H36N2O3S/c1-19-14-16-21(17-15-19)28(26,27)24-20-11-8-6-4-2-3-5-7-9-13-22(25)23-18-10-12-20/h14-17,20,24H,2-13,18H2,1H3,(H,23,25)
InChIKeyJAZXESGVMWDPAF-UHFFFAOYSA-N
MW408.61 g/mol
LogP4.45
Rot. Bonds3

About 4-methyl-N-(16-oxo-azacyclohexadec-5-yl)benzenesulfonamide

4-methyl-N-(16-oxo-azacyclohexadec-5-yl)benzenesulfonamide (PubChem CID 25023501) has the molecular formula C22H36N2O3S and a molecular weight of 408.61 g/mol. Its IUPAC name is 4-methyl-N-(16-oxo-azacyclohexadec-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(16-oxo-azacyclohexadec-5-yl)benzenesulfonamide
PubChem CID25023501
Molecular FormulaC22H36N2O3S
Molecular Weight408.61 g/mol
Exact Mass408.24
IUPAC Name4-methyl-N-(16-oxo-azacyclohexadec-5-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCCCCCCCCCC(=O)NCCC2)cc1
InChIInChI=1S/C22H36N2O3S/c1-19-14-16-21(17-15-19)28(26,27)24-20-11-8-6-4-2-3-5-7-9-13-22(25)23-18-10-12-20/h14-17,20,24H,2-13,18H2,1H3,(H,23,25)
InChIKeyJAZXESGVMWDPAF-UHFFFAOYSA-N
XLogP4.45
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.61
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(16-oxo-azacyclohexadec-5-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(16-oxo-azacyclohexadec-5-yl)benzenesulfonamide (CID 25023501) is 4-methyl-N-(16-oxo-azacyclohexadec-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(16-oxo-azacyclohexadec-5-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(16-oxo-azacyclohexadec-5-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NC2CCCCCCCCCCC(=O)NCCC2)cc1.
What is the InChIKey of 4-methyl-N-(16-oxo-azacyclohexadec-5-yl)benzenesulfonamide?
The InChIKey is JAZXESGVMWDPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O3S/c1-19-14-16-21(17-15-19)28(26,27)24-20-11-8-6-4-2-3-5-7-9-13-22(25)23-18-10-12-20/h14-17,20,24H,2-13,18H2,1H3,(H,23,25).
What are the key properties of 4-methyl-N-(16-oxo-azacyclohexadec-5-yl)benzenesulfonamide?
4-methyl-N-(16-oxo-azacyclohexadec-5-yl)benzenesulfonamide has a molecular weight of 408.61 g/mol, XLogP of 4.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(16-oxo-azacyclohexadec-5-yl)benzenesulfonamide is sourced from PubChem (CID 25023501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).