2,5-dimethoxy-N-pentan-2-ylbenzenesulfonamide

C13H21NO4S — CID 2954841

IUPAC2,5-dimethoxy-N-pentan-2-ylbenzenesulfonamide
SMILESCCCC(C)NS(=O)(=O)c1cc(OC)ccc1OC
InChIInChI=1S/C13H21NO4S/c1-5-6-10(2)14-19(15,16)13-9-11(17-3)7-8-12(13)18-4/h7-10,14H,5-6H2,1-4H3
InChIKeyKCWDLCGIPCHGPH-UHFFFAOYSA-N
MW287.38 g/mol
LogP2.17
Rot. Bonds7

About 2,5-dimethoxy-N-pentan-2-ylbenzenesulfonamide

2,5-dimethoxy-N-pentan-2-ylbenzenesulfonamide (PubChem CID 2954841) has the molecular formula C13H21NO4S and a molecular weight of 287.38 g/mol. Its IUPAC name is 2,5-dimethoxy-N-pentan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-pentan-2-ylbenzenesulfonamide
PubChem CID2954841
Molecular FormulaC13H21NO4S
Molecular Weight287.38 g/mol
Exact Mass287.12
IUPAC Name2,5-dimethoxy-N-pentan-2-ylbenzenesulfonamide
SMILESCCCC(C)NS(=O)(=O)c1cc(OC)ccc1OC
InChIInChI=1S/C13H21NO4S/c1-5-6-10(2)14-19(15,16)13-9-11(17-3)7-8-12(13)18-4/h7-10,14H,5-6H2,1-4H3
InChIKeyKCWDLCGIPCHGPH-UHFFFAOYSA-N
XLogP2.17
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethoxy-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 19681907
5-bromo-2-methoxy-N-[(2S)-pentan-2-yl]benzenesulfonamide
CID 92510421
N-[5-(diethylamino)pentan-2-yl]-2,5-dimethoxybenzenesulfonamide
CID 3667573
2,5-dimethoxy-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 3852201
2-[(2,5-dimethoxyphenyl)sulfonylamino]-4-ethylsulfonylbutanoic acid
CID 108781283
2,5-dimethoxy-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide
CID 22204679
(2R)-2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-ethylpropanamide
CID 9264822
2,5-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide
CID 22201159
N-(1-hydroxy-4-methylpentan-2-yl)-2,5-dimethoxybenzenesulfonamide
CID 61246370
2,5-dimethoxy-N-[(1R)-1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 40638726
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

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-pentan-2-ylbenzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-pentan-2-ylbenzenesulfonamide (CID 2954841) is 2,5-dimethoxy-N-pentan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-pentan-2-ylbenzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-pentan-2-ylbenzenesulfonamide is CCCC(C)NS(=O)(=O)c1cc(OC)ccc1OC.
What is the InChIKey of 2,5-dimethoxy-N-pentan-2-ylbenzenesulfonamide?
The InChIKey is KCWDLCGIPCHGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4S/c1-5-6-10(2)14-19(15,16)13-9-11(17-3)7-8-12(13)18-4/h7-10,14H,5-6H2,1-4H3.
What are the key properties of 2,5-dimethoxy-N-pentan-2-ylbenzenesulfonamide?
2,5-dimethoxy-N-pentan-2-ylbenzenesulfonamide has a molecular weight of 287.38 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-pentan-2-ylbenzenesulfonamide is sourced from PubChem (CID 2954841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).