2-hexoxy-5-methylbenzenesulfonamide

C13H21NO3S — CID 43164499

IUPAC2-hexoxy-5-methylbenzenesulfonamide
SMILESCCCCCCOc1ccc(C)cc1S(N)(=O)=O
InChIInChI=1S/C13H21NO3S/c1-3-4-5-6-9-17-12-8-7-11(2)10-13(12)18(14,15)16/h7-8,10H,3-6,9H2,1-2H3,(H2,14,15,16)
InChIKeyXEYPSZPHPAWJBJ-UHFFFAOYSA-N
MW271.38 g/mol
LogP2.60
Rot. Bonds7

About 2-hexoxy-5-methylbenzenesulfonamide

2-hexoxy-5-methylbenzenesulfonamide (PubChem CID 43164499) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is 2-hexoxy-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-hexoxy-5-methylbenzenesulfonamide
PubChem CID43164499
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC Name2-hexoxy-5-methylbenzenesulfonamide
SMILESCCCCCCOc1ccc(C)cc1S(N)(=O)=O
InChIInChI=1S/C13H21NO3S/c1-3-4-5-6-9-17-12-8-7-11(2)10-13(12)18(14,15)16/h7-8,10H,3-6,9H2,1-2H3,(H2,14,15,16)
InChIKeyXEYPSZPHPAWJBJ-UHFFFAOYSA-N
XLogP2.60
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2-pentoxybenzenesulfonamide
CID 50876723
2-heptoxy-5-methylbenzenesulfonyl chloride
CID 43129113
2-(2-ethoxyethoxy)-5-methylbenzenesulfonamide
CID 43457343
5-(4-methyl-2-sulfamoylphenoxy)pentanoic acid
CID 43342428
2-(4-cyanobutoxy)-5-methylbenzenesulfonamide
CID 82921364
2-octadecoxy-5-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide
CID 19993441
2-butoxy-5-chlorobenzenesulfonamide
CID 62103523
5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethoxy]benzenesulfonamide
CID 61490332
4-dodecoxynaphthalene-1-sulfonamide
CID 54239481
3-bromo-4-nonoxybenzenesulfonamide
CID 43342292
4-methyl-2-tetradecoxyphenol
CID 19014152
2-hexadecoxy-1,4-dimethylbenzene
CID 102286063

Frequently Asked Questions

What is the IUPAC name of 2-hexoxy-5-methylbenzenesulfonamide?
The IUPAC name of 2-hexoxy-5-methylbenzenesulfonamide (CID 43164499) is 2-hexoxy-5-methylbenzenesulfonamide.
What is the SMILES notation for 2-hexoxy-5-methylbenzenesulfonamide?
The canonical SMILES for 2-hexoxy-5-methylbenzenesulfonamide is CCCCCCOc1ccc(C)cc1S(N)(=O)=O.
What is the InChIKey of 2-hexoxy-5-methylbenzenesulfonamide?
The InChIKey is XEYPSZPHPAWJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-3-4-5-6-9-17-12-8-7-11(2)10-13(12)18(14,15)16/h7-8,10H,3-6,9H2,1-2H3,(H2,14,15,16).
What are the key properties of 2-hexoxy-5-methylbenzenesulfonamide?
2-hexoxy-5-methylbenzenesulfonamide has a molecular weight of 271.38 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexoxy-5-methylbenzenesulfonamide is sourced from PubChem (CID 43164499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).