4-(2-fluoroethoxy)-2-methylbenzenesulfonamide

C9H12FNO3S — CID 80694123

IUPAC4-(2-fluoroethoxy)-2-methylbenzenesulfonamide
SMILESCc1cc(OCCF)ccc1S(N)(=O)=O
InChIInChI=1S/C9H12FNO3S/c1-7-6-8(14-5-4-10)2-3-9(7)15(11,12)13/h2-3,6H,4-5H2,1H3,(H2,11,12,13)
InChIKeyXVQLDQGHNZKEFG-UHFFFAOYSA-N
MW233.26 g/mol
LogP0.99
Rot. Bonds4

About 4-(2-fluoroethoxy)-2-methylbenzenesulfonamide

4-(2-fluoroethoxy)-2-methylbenzenesulfonamide (PubChem CID 80694123) has the molecular formula C9H12FNO3S and a molecular weight of 233.26 g/mol. Its IUPAC name is 4-(2-fluoroethoxy)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2-fluoroethoxy)-2-methylbenzenesulfonamide
PubChem CID80694123
Molecular FormulaC9H12FNO3S
Molecular Weight233.26 g/mol
Exact Mass233.05
IUPAC Name4-(2-fluoroethoxy)-2-methylbenzenesulfonamide
SMILESCc1cc(OCCF)ccc1S(N)(=O)=O
InChIInChI=1S/C9H12FNO3S/c1-7-6-8(14-5-4-10)2-3-9(7)15(11,12)13/h2-3,6H,4-5H2,1H3,(H2,11,12,13)
InChIKeyXVQLDQGHNZKEFG-UHFFFAOYSA-N
XLogP0.99
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-cyanobutoxy)-2-methylbenzenesulfonamide
CID 82914658
4-(3-fluoropropoxy)-2-methylbenzenesulfonyl chloride
CID 81106046
4-[(E)-3-chloroprop-2-enoxy]-2-methylbenzenesulfonamide
CID 82914363
4-(3-ethoxyphenoxy)-2-methylbenzenesulfonamide
CID 62337650
2-methyl-4-(2-pyridin-3-ylethoxy)benzenesulfonamide
CID 82914505
4-(3,4-dimethylphenoxy)-2-methylbenzenesulfonamide
CID 43436537
2-methyl-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonamide
CID 82914582
2-(4-bromo-3-methylphenoxy)ethanesulfonamide
CID 83135088
2,4-bis(2-fluoroethoxy)-1-methylbenzene
CID 15058706
N-(3-methoxypropyl)-2-(3-methyl-4-sulfamoylphenoxy)acetamide
CID 82917921
2-methyl-4-(3,3,3-trifluoropropoxy)benzenesulfonyl chloride
CID 64554785
N-butyl-2-(3-methyl-4-sulfamoylphenoxy)acetamide
CID 82914364

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethoxy)-2-methylbenzenesulfonamide?
The IUPAC name of 4-(2-fluoroethoxy)-2-methylbenzenesulfonamide (CID 80694123) is 4-(2-fluoroethoxy)-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-(2-fluoroethoxy)-2-methylbenzenesulfonamide?
The canonical SMILES for 4-(2-fluoroethoxy)-2-methylbenzenesulfonamide is Cc1cc(OCCF)ccc1S(N)(=O)=O.
What is the InChIKey of 4-(2-fluoroethoxy)-2-methylbenzenesulfonamide?
The InChIKey is XVQLDQGHNZKEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO3S/c1-7-6-8(14-5-4-10)2-3-9(7)15(11,12)13/h2-3,6H,4-5H2,1H3,(H2,11,12,13).
What are the key properties of 4-(2-fluoroethoxy)-2-methylbenzenesulfonamide?
4-(2-fluoroethoxy)-2-methylbenzenesulfonamide has a molecular weight of 233.26 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethoxy)-2-methylbenzenesulfonamide is sourced from PubChem (CID 80694123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).