2,5-dimethoxy-N-octylbenzenesulfonamide

C16H27NO4S — CID 19681340

IUPAC2,5-dimethoxy-N-octylbenzenesulfonamide
SMILESCCCCCCCCNS(=O)(=O)c1cc(OC)ccc1OC
InChIInChI=1S/C16H27NO4S/c1-4-5-6-7-8-9-12-17-22(18,19)16-13-14(20-2)10-11-15(16)21-3/h10-11,13,17H,4-9,12H2,1-3H3
InChIKeyKXXYUQMAXJOUMX-UHFFFAOYSA-N
MW329.46 g/mol
LogP3.34
Rot. Bonds11

About 2,5-dimethoxy-N-octylbenzenesulfonamide

2,5-dimethoxy-N-octylbenzenesulfonamide (PubChem CID 19681340) has the molecular formula C16H27NO4S and a molecular weight of 329.46 g/mol. Its IUPAC name is 2,5-dimethoxy-N-octylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-octylbenzenesulfonamide
PubChem CID19681340
Molecular FormulaC16H27NO4S
Molecular Weight329.46 g/mol
Exact Mass329.17
IUPAC Name2,5-dimethoxy-N-octylbenzenesulfonamide
SMILESCCCCCCCCNS(=O)(=O)c1cc(OC)ccc1OC
InChIInChI=1S/C16H27NO4S/c1-4-5-6-7-8-9-12-17-22(18,19)16-13-14(20-2)10-11-15(16)21-3/h10-11,13,17H,4-9,12H2,1-3H3
InChIKeyKXXYUQMAXJOUMX-UHFFFAOYSA-N
XLogP3.34
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.46
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-heptyl-2,5-dimethoxybenzenesulfonamide
CID 19681274
2,5-dimethoxy-N-(3-propoxypropyl)benzenesulfonamide
CID 4987407
2,5-dimethoxy-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 110721113
2-methoxy-N-octyl-5-(2-oxopropyl)benzenesulfonamide
CID 15034440
2-methoxy-N-pentyl-5-propanoylbenzenesulfonamide
CID 39454552
2,5-dimethoxy-N-[3-(2-methylpropoxy)propyl]benzenesulfonamide
CID 46633637
N-(2-ethylhexyl)-2,5-dimethoxybenzenesulfonamide
CID 19681648
butyl 2-[(2,5-dimethoxyphenyl)sulfonylamino]acetate
CID 3688922
N-[3-(3-chlorophenyl)propyl]-2,5-dimethoxybenzenesulfonamide
CID 141008380
N-(6-hydroxyhexyl)-2,4-dimethoxybenzenesulfonamide
CID 103918378
N-[3-(cyclopropylmethoxy)propyl]-2,5-dimethoxybenzenesulfonamide
CID 46633566
N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-2,5-dimethoxybenzenesulfonamide
CID 19681035

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-octylbenzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-octylbenzenesulfonamide (CID 19681340) is 2,5-dimethoxy-N-octylbenzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-octylbenzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-octylbenzenesulfonamide is CCCCCCCCNS(=O)(=O)c1cc(OC)ccc1OC.
What is the InChIKey of 2,5-dimethoxy-N-octylbenzenesulfonamide?
The InChIKey is KXXYUQMAXJOUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4S/c1-4-5-6-7-8-9-12-17-22(18,19)16-13-14(20-2)10-11-15(16)21-3/h10-11,13,17H,4-9,12H2,1-3H3.
What are the key properties of 2,5-dimethoxy-N-octylbenzenesulfonamide?
2,5-dimethoxy-N-octylbenzenesulfonamide has a molecular weight of 329.46 g/mol, XLogP of 3.34, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-octylbenzenesulfonamide is sourced from PubChem (CID 19681340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).