N-(2,4,6-trimethoxyphenyl)hexadecane-1-sulfonamide

C25H45NO5S — CID 10367516

IUPACN-(2,4,6-trimethoxyphenyl)hexadecane-1-sulfonamide
SMILESCCCCCCCCCCCCCCCCS(=O)(=O)Nc1c(OC)cc(OC)cc1OC
InChIInChI=1S/C25H45NO5S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-32(27,28)26-25-23(30-3)20-22(29-2)21-24(25)31-4/h20-21,26H,5-19H2,1-4H3
InChIKeyQTMFOMVLXBBRKW-UHFFFAOYSA-N
MW471.70 g/mol
LogP6.94
Rot. Bonds20

About N-(2,4,6-trimethoxyphenyl)hexadecane-1-sulfonamide

N-(2,4,6-trimethoxyphenyl)hexadecane-1-sulfonamide (PubChem CID 10367516) has the molecular formula C25H45NO5S and a molecular weight of 471.70 g/mol. Its IUPAC name is N-(2,4,6-trimethoxyphenyl)hexadecane-1-sulfonamide.

Molecular Properties

Compound NameN-(2,4,6-trimethoxyphenyl)hexadecane-1-sulfonamide
PubChem CID10367516
Molecular FormulaC25H45NO5S
Molecular Weight471.70 g/mol
Exact Mass471.30
IUPAC NameN-(2,4,6-trimethoxyphenyl)hexadecane-1-sulfonamide
SMILESCCCCCCCCCCCCCCCCS(=O)(=O)Nc1c(OC)cc(OC)cc1OC
InChIInChI=1S/C25H45NO5S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-32(27,28)26-25-23(30-3)20-22(29-2)21-24(25)31-4/h20-21,26H,5-19H2,1-4H3
InChIKeyQTMFOMVLXBBRKW-UHFFFAOYSA-N
XLogP6.94
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.70
LogP ≤ 56.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxyphenyl)nonane-1-sulfonamide
CID 43833954
dodecyl 2-sulfanyl-2-[(2,4,6-trimethoxyphenyl)sulfamoyl]acetate
CID 57323340
N-(2,6-dihydroxyphenyl)hexadecane-1-sulfonamide
CID 22758999
4-methoxy-2-(pentylsulfonylamino)benzenesulfonamide
CID 119051423
N-(3,5-dimethoxyphenyl)-4-(ethylamino)butane-1-sulfonamide
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CID 112987904
N-(2,4-dimethoxyphenyl)-3-(ethylamino)propane-1-sulfonamide
CID 106047695
2,2-dimethyl-N-(2,4,6-trimethoxyphenyl)octadecanamide
CID 14276081
N-(2,5-dimethoxyphenyl)propane-1-sulfonamide
CID 60640726
2-hexoxy-1,3,5-trimethoxybenzene
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2,5-dimethoxyaniline;3-(hexadecylsulfonylamino)benzoic acid
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CID 67862538

Frequently Asked Questions

What is the IUPAC name of N-(2,4,6-trimethoxyphenyl)hexadecane-1-sulfonamide?
The IUPAC name of N-(2,4,6-trimethoxyphenyl)hexadecane-1-sulfonamide (CID 10367516) is N-(2,4,6-trimethoxyphenyl)hexadecane-1-sulfonamide.
What is the SMILES notation for N-(2,4,6-trimethoxyphenyl)hexadecane-1-sulfonamide?
The canonical SMILES for N-(2,4,6-trimethoxyphenyl)hexadecane-1-sulfonamide is CCCCCCCCCCCCCCCCS(=O)(=O)Nc1c(OC)cc(OC)cc1OC.
What is the InChIKey of N-(2,4,6-trimethoxyphenyl)hexadecane-1-sulfonamide?
The InChIKey is QTMFOMVLXBBRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H45NO5S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-32(27,28)26-25-23(30-3)20-22(29-2)21-24(25)31-4/h20-21,26H,5-19H2,1-4H3.
What are the key properties of N-(2,4,6-trimethoxyphenyl)hexadecane-1-sulfonamide?
N-(2,4,6-trimethoxyphenyl)hexadecane-1-sulfonamide has a molecular weight of 471.70 g/mol, XLogP of 6.94, 20 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,6-trimethoxyphenyl)hexadecane-1-sulfonamide is sourced from PubChem (CID 10367516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).