3,5-dimethyl-2-(4-methylpentoxy)benzenesulfonamide

C14H23NO3S — CID 83158027

IUPAC3,5-dimethyl-2-(4-methylpentoxy)benzenesulfonamide
SMILESCc1cc(C)c(OCCCC(C)C)c(S(N)(=O)=O)c1
InChIInChI=1S/C14H23NO3S/c1-10(2)6-5-7-18-14-12(4)8-11(3)9-13(14)19(15,16)17/h8-10H,5-7H2,1-4H3,(H2,15,16,17)
InChIKeyBSGTYSFGDNDILN-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.77
Rot. Bonds6

About 3,5-dimethyl-2-(4-methylpentoxy)benzenesulfonamide

3,5-dimethyl-2-(4-methylpentoxy)benzenesulfonamide (PubChem CID 83158027) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is 3,5-dimethyl-2-(4-methylpentoxy)benzenesulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-2-(4-methylpentoxy)benzenesulfonamide
PubChem CID83158027
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC Name3,5-dimethyl-2-(4-methylpentoxy)benzenesulfonamide
SMILESCc1cc(C)c(OCCCC(C)C)c(S(N)(=O)=O)c1
InChIInChI=1S/C14H23NO3S/c1-10(2)6-5-7-18-14-12(4)8-11(3)9-13(14)19(15,16)17/h8-10H,5-7H2,1-4H3,(H2,15,16,17)
InChIKeyBSGTYSFGDNDILN-UHFFFAOYSA-N
XLogP2.77
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.77
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

3,5-dimethyl-2-(4-methylpentoxy)benzenesulfonyl chloride
CID 83157191
3,5-dimethyl-2-pent-4-enoxybenzenesulfonamide
CID 82914810
3,5-dimethyl-2-(3-methylbut-3-enoxy)benzenesulfonamide
CID 114473034
2-(difluoromethoxy)-3,5-dimethylbenzenesulfonamide
CID 165474374
2-(2,4-dimethyl-6-sulfamoylphenoxy)-N-methyl-N-propan-2-ylacetamide
CID 82916982
2-(3-chloro-2-methylprop-2-enoxy)-3,5-dimethylbenzenesulfonamide
CID 106439089
2-[(Z)-2,3-dichloroprop-2-enoxy]-3,5-dimethylbenzenesulfonamide
CID 82915155
3,5-dimethyl-2-(2-methylpropoxy)benzenesulfonyl chloride
CID 82915232
3-methyl-4-(4-methylpentoxy)benzenesulfonamide
CID 83158353
5-bromo-3-chloro-2-(3-methylbutoxy)benzenesulfonamide
CID 43164414
2-(2,4-dimethyl-6-sulfamoylphenoxy)-N-propylpropanamide
CID 82917132
4-methylpentyl 4-fluoro-3-methyl-5-sulfamoylbenzoate
CID 65379865

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-(4-methylpentoxy)benzenesulfonamide?
The IUPAC name of 3,5-dimethyl-2-(4-methylpentoxy)benzenesulfonamide (CID 83158027) is 3,5-dimethyl-2-(4-methylpentoxy)benzenesulfonamide.
What is the SMILES notation for 3,5-dimethyl-2-(4-methylpentoxy)benzenesulfonamide?
The canonical SMILES for 3,5-dimethyl-2-(4-methylpentoxy)benzenesulfonamide is Cc1cc(C)c(OCCCC(C)C)c(S(N)(=O)=O)c1.
What is the InChIKey of 3,5-dimethyl-2-(4-methylpentoxy)benzenesulfonamide?
The InChIKey is BSGTYSFGDNDILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-10(2)6-5-7-18-14-12(4)8-11(3)9-13(14)19(15,16)17/h8-10H,5-7H2,1-4H3,(H2,15,16,17).
What are the key properties of 3,5-dimethyl-2-(4-methylpentoxy)benzenesulfonamide?
3,5-dimethyl-2-(4-methylpentoxy)benzenesulfonamide has a molecular weight of 285.41 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-(4-methylpentoxy)benzenesulfonamide is sourced from PubChem (CID 83158027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).