2,5-dimethyl-4-pentan-2-yloxybenzenesulfonamide

C13H21NO3S — CID 107896256

IUPAC2,5-dimethyl-4-pentan-2-yloxybenzenesulfonamide
SMILESCCCC(C)Oc1cc(C)c(S(N)(=O)=O)cc1C
InChIInChI=1S/C13H21NO3S/c1-5-6-11(4)17-12-7-10(3)13(8-9(12)2)18(14,15)16/h7-8,11H,5-6H2,1-4H3,(H2,14,15,16)
InChIKeyZZOSUUYJTFHSMW-UHFFFAOYSA-N
MW271.38 g/mol
LogP2.52
Rot. Bonds5

About 2,5-dimethyl-4-pentan-2-yloxybenzenesulfonamide

2,5-dimethyl-4-pentan-2-yloxybenzenesulfonamide (PubChem CID 107896256) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is 2,5-dimethyl-4-pentan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-4-pentan-2-yloxybenzenesulfonamide
PubChem CID107896256
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC Name2,5-dimethyl-4-pentan-2-yloxybenzenesulfonamide
SMILESCCCC(C)Oc1cc(C)c(S(N)(=O)=O)cc1C
InChIInChI=1S/C13H21NO3S/c1-5-6-11(4)17-12-7-10(3)13(8-9(12)2)18(14,15)16/h7-8,11H,5-6H2,1-4H3,(H2,14,15,16)
InChIKeyZZOSUUYJTFHSMW-UHFFFAOYSA-N
XLogP2.52
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-butan-2-yloxy-2-methyl-5-propan-2-ylbenzenesulfonamide
CID 43342313
pentan-2-yl 2,4-dimethyl-5-sulfamoylbenzoate
CID 103724570
2-(2,5-dimethyl-4-sulfamoylphenoxy)-N-methylpropanamide
CID 82912061
2-(2,5-dimethyl-4-sulfamoylphenoxy)-N,N-dimethylpropanamide
CID 82912493
3-methyl-5-nitro-2-pentan-2-yloxybenzenesulfonamide
CID 107896275
2-amino-4-pentan-2-yloxybenzenesulfonamide
CID 102980405
N-carbamoyl-2-(2,5-dimethyl-4-sulfamoylphenoxy)propanamide
CID 82913324
3-tert-butyl-4-pentan-2-yloxybenzenesulfonamide
CID 114013779
4-methyl-3-pentan-2-yloxyaniline
CID 107890554
3-methyl-4-pentan-2-yloxyaniline
CID 102980374
2-fluoro-5-nitro-4-pentan-2-yloxybenzenesulfonamide
CID 107896255
2-methyl-5-propan-2-yl-4-propan-2-yloxybenzenesulfonamide
CID 43164355

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-pentan-2-yloxybenzenesulfonamide?
The IUPAC name of 2,5-dimethyl-4-pentan-2-yloxybenzenesulfonamide (CID 107896256) is 2,5-dimethyl-4-pentan-2-yloxybenzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-4-pentan-2-yloxybenzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-4-pentan-2-yloxybenzenesulfonamide is CCCC(C)Oc1cc(C)c(S(N)(=O)=O)cc1C.
What is the InChIKey of 2,5-dimethyl-4-pentan-2-yloxybenzenesulfonamide?
The InChIKey is ZZOSUUYJTFHSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-5-6-11(4)17-12-7-10(3)13(8-9(12)2)18(14,15)16/h7-8,11H,5-6H2,1-4H3,(H2,14,15,16).
What are the key properties of 2,5-dimethyl-4-pentan-2-yloxybenzenesulfonamide?
2,5-dimethyl-4-pentan-2-yloxybenzenesulfonamide has a molecular weight of 271.38 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-pentan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 107896256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).