4-methoxy-2,3,6-trimethyl-N-(2-methylbutyl)benzenesulfonamide

C15H25NO3S — CID 5163002

IUPAC4-methoxy-2,3,6-trimethyl-N-(2-methylbutyl)benzenesulfonamide
SMILESCCC(C)CNS(=O)(=O)c1c(C)cc(OC)c(C)c1C
InChIInChI=1S/C15H25NO3S/c1-7-10(2)9-16-20(17,18)15-11(3)8-14(19-6)12(4)13(15)5/h8,10,16H,7,9H2,1-6H3
InChIKeyHVCOQSJHDSNAET-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.94
Rot. Bonds6

About 4-methoxy-2,3,6-trimethyl-N-(2-methylbutyl)benzenesulfonamide

4-methoxy-2,3,6-trimethyl-N-(2-methylbutyl)benzenesulfonamide (PubChem CID 5163002) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 4-methoxy-2,3,6-trimethyl-N-(2-methylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2,3,6-trimethyl-N-(2-methylbutyl)benzenesulfonamide
PubChem CID5163002
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC Name4-methoxy-2,3,6-trimethyl-N-(2-methylbutyl)benzenesulfonamide
SMILESCCC(C)CNS(=O)(=O)c1c(C)cc(OC)c(C)c1C
InChIInChI=1S/C15H25NO3S/c1-7-10(2)9-16-20(17,18)15-11(3)8-14(19-6)12(4)13(15)5/h8,10,16H,7,9H2,1-6H3
InChIKeyHVCOQSJHDSNAET-UHFFFAOYSA-N
XLogP2.94
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-2,3,6-trimethyl-N-(2-sulfamoylethyl)benzenesulfonamide
CID 171675227
N-[(3,5-dimethoxyphenyl)methyl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide
CID 5014375
4-methoxy-2,3,6-trimethyl-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 3602682
diethyl 2-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]propanedioate
CID 3860519
N-[(4-bromophenyl)methyl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide
CID 3781710
4,5-dimethoxy-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide
CID 115302766
N-[2-(4-ethoxyphenyl)ethyl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide
CID 3527487
2-methoxy-4,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide
CID 43845640
4-amino-2,6-dibromo-N-(2-methylbutyl)benzenesulfonamide
CID 62700585
2-amino-4,5-dimethyl-N-(2-methylbutyl)benzenesulfonamide
CID 62699271
N-(4-hydroxy-2-methylbutyl)-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 66108014
N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide
CID 3829648

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,3,6-trimethyl-N-(2-methylbutyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-2,3,6-trimethyl-N-(2-methylbutyl)benzenesulfonamide (CID 5163002) is 4-methoxy-2,3,6-trimethyl-N-(2-methylbutyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2,3,6-trimethyl-N-(2-methylbutyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-2,3,6-trimethyl-N-(2-methylbutyl)benzenesulfonamide is CCC(C)CNS(=O)(=O)c1c(C)cc(OC)c(C)c1C.
What is the InChIKey of 4-methoxy-2,3,6-trimethyl-N-(2-methylbutyl)benzenesulfonamide?
The InChIKey is HVCOQSJHDSNAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-7-10(2)9-16-20(17,18)15-11(3)8-14(19-6)12(4)13(15)5/h8,10,16H,7,9H2,1-6H3.
What are the key properties of 4-methoxy-2,3,6-trimethyl-N-(2-methylbutyl)benzenesulfonamide?
4-methoxy-2,3,6-trimethyl-N-(2-methylbutyl)benzenesulfonamide has a molecular weight of 299.44 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,3,6-trimethyl-N-(2-methylbutyl)benzenesulfonamide is sourced from PubChem (CID 5163002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).