2,5-dimethoxy-N-(6-methylheptan-2-yl)benzenesulfonamide

C16H27NO4S — CID 19681907

IUPAC2,5-dimethoxy-N-(6-methylheptan-2-yl)benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NC(C)CCCC(C)C)c1
InChIInChI=1S/C16H27NO4S/c1-12(2)7-6-8-13(3)17-22(18,19)16-11-14(20-4)9-10-15(16)21-5/h9-13,17H,6-8H2,1-5H3
InChIKeyOKKLTAVSEUZQPO-UHFFFAOYSA-N
MW329.46 g/mol
LogP3.20
Rot. Bonds9

About 2,5-dimethoxy-N-(6-methylheptan-2-yl)benzenesulfonamide

2,5-dimethoxy-N-(6-methylheptan-2-yl)benzenesulfonamide (PubChem CID 19681907) has the molecular formula C16H27NO4S and a molecular weight of 329.46 g/mol. Its IUPAC name is 2,5-dimethoxy-N-(6-methylheptan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-(6-methylheptan-2-yl)benzenesulfonamide
PubChem CID19681907
Molecular FormulaC16H27NO4S
Molecular Weight329.46 g/mol
Exact Mass329.17
IUPAC Name2,5-dimethoxy-N-(6-methylheptan-2-yl)benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NC(C)CCCC(C)C)c1
InChIInChI=1S/C16H27NO4S/c1-12(2)7-6-8-13(3)17-22(18,19)16-11-14(20-4)9-10-15(16)21-5/h9-13,17H,6-8H2,1-5H3
InChIKeyOKKLTAVSEUZQPO-UHFFFAOYSA-N
XLogP3.20
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.46
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethoxy-N-pentan-2-ylbenzenesulfonamide
CID 2954841
N-[5-(diethylamino)pentan-2-yl]-2,5-dimethoxybenzenesulfonamide
CID 3667573
4-methoxy-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 19681894
N-(1-hydroxy-4-methylpentan-2-yl)-2,5-dimethoxybenzenesulfonamide
CID 61246370
2,5-dimethoxy-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 3852201
2,5-dimethoxy-N-[4-(3-methylbutylamino)phenyl]benzenesulfonamide
CID 112985154
2,5-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide
CID 22201159
2,5-dimethoxy-N-[(1R)-1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 40638726
5-bromo-2-methoxy-N-[(2S)-pentan-2-yl]benzenesulfonamide
CID 92510421
5-bromo-N-(4-hydroxybutan-2-yl)-2-methoxybenzenesulfonamide
CID 113318211
2,5-dimethoxy-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide
CID 30404832
N-(3-hydroxybutyl)-2,5-dimethoxybenzenesulfonamide
CID 64912067

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-(6-methylheptan-2-yl)benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-(6-methylheptan-2-yl)benzenesulfonamide (CID 19681907) is 2,5-dimethoxy-N-(6-methylheptan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-(6-methylheptan-2-yl)benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-(6-methylheptan-2-yl)benzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)NC(C)CCCC(C)C)c1.
What is the InChIKey of 2,5-dimethoxy-N-(6-methylheptan-2-yl)benzenesulfonamide?
The InChIKey is OKKLTAVSEUZQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4S/c1-12(2)7-6-8-13(3)17-22(18,19)16-11-14(20-4)9-10-15(16)21-5/h9-13,17H,6-8H2,1-5H3.
What are the key properties of 2,5-dimethoxy-N-(6-methylheptan-2-yl)benzenesulfonamide?
2,5-dimethoxy-N-(6-methylheptan-2-yl)benzenesulfonamide has a molecular weight of 329.46 g/mol, XLogP of 3.20, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-(6-methylheptan-2-yl)benzenesulfonamide is sourced from PubChem (CID 19681907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).