4-methoxy-2,5-dimethyl-N-(2-methylbutan-2-yl)benzenesulfonamide

C14H23NO3S — CID 47304384

IUPAC4-methoxy-2,5-dimethyl-N-(2-methylbutan-2-yl)benzenesulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1cc(C)c(OC)cc1C
InChIInChI=1S/C14H23NO3S/c1-7-14(4,5)15-19(16,17)13-9-10(2)12(18-6)8-11(13)3/h8-9,15H,7H2,1-6H3
InChIKeyHEWVLHPJUCKTFT-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.78
Rot. Bonds5

About 4-methoxy-2,5-dimethyl-N-(2-methylbutan-2-yl)benzenesulfonamide

4-methoxy-2,5-dimethyl-N-(2-methylbutan-2-yl)benzenesulfonamide (PubChem CID 47304384) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is 4-methoxy-2,5-dimethyl-N-(2-methylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2,5-dimethyl-N-(2-methylbutan-2-yl)benzenesulfonamide
PubChem CID47304384
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC Name4-methoxy-2,5-dimethyl-N-(2-methylbutan-2-yl)benzenesulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1cc(C)c(OC)cc1C
InChIInChI=1S/C14H23NO3S/c1-7-14(4,5)15-19(16,17)13-9-10(2)12(18-6)8-11(13)3/h8-9,15H,7H2,1-6H3
InChIKeyHEWVLHPJUCKTFT-UHFFFAOYSA-N
XLogP2.78
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-3-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 37478612
4-methoxy-2,6-dimethyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 47173285
4-methoxy-N-(2-methoxyethyl)-2,5-dimethylbenzenesulfonamide
CID 15943934
4-methoxy-2,5-dimethyl-N-(1-phenylpropyl)benzenesulfonamide
CID 133162836
4-(aminomethyl)-2-methoxy-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106031507
N-tert-butyl-5-chloro-4-methoxy-2-methylbenzenesulfonamide
CID 110757953
N-(3-aminopropyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 28754094
4-methoxy-2,5-dimethyl-N-[3-(methylamino)propyl]benzenesulfonamide
CID 119964849
N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 113068096
N-(2-ethoxypyrimidin-5-yl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 122301894
5-amino-N-(1-hydroxy-2-methylpropan-2-yl)-2-methoxy-4-methylbenzenesulfonamide
CID 79974809
N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 94633814

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,5-dimethyl-N-(2-methylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 4-methoxy-2,5-dimethyl-N-(2-methylbutan-2-yl)benzenesulfonamide (CID 47304384) is 4-methoxy-2,5-dimethyl-N-(2-methylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2,5-dimethyl-N-(2-methylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-2,5-dimethyl-N-(2-methylbutan-2-yl)benzenesulfonamide is CCC(C)(C)NS(=O)(=O)c1cc(C)c(OC)cc1C.
What is the InChIKey of 4-methoxy-2,5-dimethyl-N-(2-methylbutan-2-yl)benzenesulfonamide?
The InChIKey is HEWVLHPJUCKTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-7-14(4,5)15-19(16,17)13-9-10(2)12(18-6)8-11(13)3/h8-9,15H,7H2,1-6H3.
What are the key properties of 4-methoxy-2,5-dimethyl-N-(2-methylbutan-2-yl)benzenesulfonamide?
4-methoxy-2,5-dimethyl-N-(2-methylbutan-2-yl)benzenesulfonamide has a molecular weight of 285.41 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,5-dimethyl-N-(2-methylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 47304384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).