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

C22H35NO4S — CID 25023386

IUPACN-(2-methyl-16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide
SMILESCC1CCC(NS(=O)(=O)c2ccccc2)CCCCCCCCCCC(=O)O1
InChIInChI=1S/C22H35NO4S/c1-19-17-18-20(23-28(25,26)21-14-10-8-11-15-21)13-9-6-4-2-3-5-7-12-16-22(24)27-19/h8,10-11,14-15,19-20,23H,2-7,9,12-13,16-18H2,1H3
InChIKeyYPSMJURGWIIJFQ-UHFFFAOYSA-N
MW409.59 g/mol
LogP4.96
Rot. Bonds3

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

N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide (PubChem CID 25023386) has the molecular formula C22H35NO4S and a molecular weight of 409.59 g/mol. Its IUPAC name is N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methyl-16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide
PubChem CID25023386
Molecular FormulaC22H35NO4S
Molecular Weight409.59 g/mol
Exact Mass409.23
IUPAC NameN-(2-methyl-16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide
SMILESCC1CCC(NS(=O)(=O)c2ccccc2)CCCCCCCCCCC(=O)O1
InChIInChI=1S/C22H35NO4S/c1-19-17-18-20(23-28(25,26)21-14-10-8-11-15-21)13-9-6-4-2-3-5-7-12-16-22(24)27-19/h8,10-11,14-15,19-20,23H,2-7,9,12-13,16-18H2,1H3
InChIKeyYPSMJURGWIIJFQ-UHFFFAOYSA-N
XLogP4.96
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.59
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Octanoic acid, 8-[(phenylsulfonyl)amino]-
CID 10171761
9-(Benzenesulphonamido)nonanoic Acid
CID 15052910
11-[(Phenylsulfonyl)amino]undecanoic acid
CID 13192131
12-(Benzenesulfonamido)dodecanoic acid
CID 15052911
Methyl 6-amino-2-(benzenesulfonamido)hexanoate
CID 298323
N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide
CID 25023258
4-methyl-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide
CID 25023259
4-chloro-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide
CID 25023260
4-fluoro-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide
CID 25023323
2-chloro-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide
CID 25023324
N-(16-oxo-oxacyclohexadec-5-yl)-1-phenylmethanesulfonamide
CID 25023384
4-methyl-N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide
CID 25023387

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide?
The IUPAC name of N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide (CID 25023386) is N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide.
What is the SMILES notation for N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide?
The canonical SMILES for N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide is CC1CCC(NS(=O)(=O)c2ccccc2)CCCCCCCCCCC(=O)O1.
What is the InChIKey of N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide?
The InChIKey is YPSMJURGWIIJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35NO4S/c1-19-17-18-20(23-28(25,26)21-14-10-8-11-15-21)13-9-6-4-2-3-5-7-12-16-22(24)27-19/h8,10-11,14-15,19-20,23H,2-7,9,12-13,16-18H2,1H3.
What are the key properties of N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide?
N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide has a molecular weight of 409.59 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide is sourced from PubChem (CID 25023386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).