2-(3,3-dimethylbutoxy)-5-fluorobenzenesulfonamide

C12H18FNO3S — CID 62105180

IUPAC2-(3,3-dimethylbutoxy)-5-fluorobenzenesulfonamide
SMILESCC(C)(C)CCOc1ccc(F)cc1S(N)(=O)=O
InChIInChI=1S/C12H18FNO3S/c1-12(2,3)6-7-17-10-5-4-9(13)8-11(10)18(14,15)16/h4-5,8H,6-7H2,1-3H3,(H2,14,15,16)
InChIKeyMQZHOQQHQALDKJ-UHFFFAOYSA-N
MW275.34 g/mol
LogP2.29
Rot. Bonds4

About 2-(3,3-dimethylbutoxy)-5-fluorobenzenesulfonamide

2-(3,3-dimethylbutoxy)-5-fluorobenzenesulfonamide (PubChem CID 62105180) has the molecular formula C12H18FNO3S and a molecular weight of 275.34 g/mol. Its IUPAC name is 2-(3,3-dimethylbutoxy)-5-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-(3,3-dimethylbutoxy)-5-fluorobenzenesulfonamide
PubChem CID62105180
Molecular FormulaC12H18FNO3S
Molecular Weight275.34 g/mol
Exact Mass275.10
IUPAC Name2-(3,3-dimethylbutoxy)-5-fluorobenzenesulfonamide
SMILESCC(C)(C)CCOc1ccc(F)cc1S(N)(=O)=O
InChIInChI=1S/C12H18FNO3S/c1-12(2,3)6-7-17-10-5-4-9(13)8-11(10)18(14,15)16/h4-5,8H,6-7H2,1-3H3,(H2,14,15,16)
InChIKeyMQZHOQQHQALDKJ-UHFFFAOYSA-N
XLogP2.29
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-cyano-3-methylbutoxy)-5-fluorobenzenesulfonamide
CID 82915040
5-fluoro-2-(3-fluoropropoxy)benzenesulfonamide
CID 81113508
5-fluoro-2-(3-methylbut-3-enoxy)benzenesulfonamide
CID 114473030
4-(4-fluoro-2-sulfamoylphenoxy)-N-methylbutanamide
CID 82915136
2-(4-fluoro-2-sulfamoylphenoxy)acetic acid
CID 62103698
5-fluoro-2-(3-methoxy-3-methylbutoxy)benzenesulfonyl chloride
CID 103020699
5-chloro-2-(3,3,3-trifluoropropoxy)benzenesulfonamide
CID 64567349
3-chloro-4-(3,3-dimethylbutoxy)benzenesulfonamide
CID 61481232
5-fluoro-2-[(2-methoxyphenyl)methoxy]benzenesulfonamide
CID 62104803
2-[(4-chlorophenyl)methoxy]-5-fluorobenzenesulfonamide
CID 62105360
5-fluoro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonamide
CID 62104427
2-[(5-chloro-2-fluorophenyl)methoxy]-5-fluorobenzenesulfonamide
CID 103047119

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutoxy)-5-fluorobenzenesulfonamide?
The IUPAC name of 2-(3,3-dimethylbutoxy)-5-fluorobenzenesulfonamide (CID 62105180) is 2-(3,3-dimethylbutoxy)-5-fluorobenzenesulfonamide.
What is the SMILES notation for 2-(3,3-dimethylbutoxy)-5-fluorobenzenesulfonamide?
The canonical SMILES for 2-(3,3-dimethylbutoxy)-5-fluorobenzenesulfonamide is CC(C)(C)CCOc1ccc(F)cc1S(N)(=O)=O.
What is the InChIKey of 2-(3,3-dimethylbutoxy)-5-fluorobenzenesulfonamide?
The InChIKey is MQZHOQQHQALDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO3S/c1-12(2,3)6-7-17-10-5-4-9(13)8-11(10)18(14,15)16/h4-5,8H,6-7H2,1-3H3,(H2,14,15,16).
What are the key properties of 2-(3,3-dimethylbutoxy)-5-fluorobenzenesulfonamide?
2-(3,3-dimethylbutoxy)-5-fluorobenzenesulfonamide has a molecular weight of 275.34 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutoxy)-5-fluorobenzenesulfonamide is sourced from PubChem (CID 62105180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).