3-fluoro-N-(2-methoxyphenyl)-4-propan-2-yloxybenzenesulfonamide

C16H18FNO4S — CID 110758242

IUPAC3-fluoro-N-(2-methoxyphenyl)-4-propan-2-yloxybenzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(OC(C)C)c(F)c1
InChIInChI=1S/C16H18FNO4S/c1-11(2)22-15-9-8-12(10-13(15)17)23(19,20)18-14-6-4-5-7-16(14)21-3/h4-11,18H,1-3H3
InChIKeyAHSOYTVPVNCQQB-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.42
Rot. Bonds6

About 3-fluoro-N-(2-methoxyphenyl)-4-propan-2-yloxybenzenesulfonamide

3-fluoro-N-(2-methoxyphenyl)-4-propan-2-yloxybenzenesulfonamide (PubChem CID 110758242) has the molecular formula C16H18FNO4S and a molecular weight of 339.39 g/mol. Its IUPAC name is 3-fluoro-N-(2-methoxyphenyl)-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-(2-methoxyphenyl)-4-propan-2-yloxybenzenesulfonamide
PubChem CID110758242
Molecular FormulaC16H18FNO4S
Molecular Weight339.39 g/mol
Exact Mass339.09
IUPAC Name3-fluoro-N-(2-methoxyphenyl)-4-propan-2-yloxybenzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(OC(C)C)c(F)c1
InChIInChI=1S/C16H18FNO4S/c1-11(2)22-15-9-8-12(10-13(15)17)23(19,20)18-14-6-4-5-7-16(14)21-3/h4-11,18H,1-3H3
InChIKeyAHSOYTVPVNCQQB-UHFFFAOYSA-N
XLogP3.42
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-fluoro-N-(2-methoxyphenyl)benzenesulfonamide
CID 82843777
4-fluoro-N-(2-propan-2-yloxyphenyl)benzenesulfonamide
CID 53277912
3-fluoro-4-propan-2-yloxy-N-pyridin-2-ylbenzenesulfonamide
CID 110758249
3-fluoro-N-(4-methoxyphenyl)-4-propan-2-yloxybenzenesulfonamide
CID 110758244
5-fluoro-2-methoxy-N-(2-propan-2-yloxyphenyl)benzenesulfonamide
CID 53288956
N-(2-fluorophenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 40727137
3-fluoro-4-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 133202669
1-N,3-N-bis(3-fluoro-2-propan-2-yloxyphenyl)-4-methoxybenzene-1,3-disulfonamide
CID 141157396
3-iodo-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 1289218
3-chloro-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 961849
3-fluoro-4-methoxy-N-(2-phenylphenyl)benzenesulfonamide
CID 39825493
3-fluoro-4-methoxy-N-(2-methoxy-5-methylphenyl)benzenesulfonamide
CID 39825262

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-methoxyphenyl)-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of 3-fluoro-N-(2-methoxyphenyl)-4-propan-2-yloxybenzenesulfonamide (CID 110758242) is 3-fluoro-N-(2-methoxyphenyl)-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-(2-methoxyphenyl)-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for 3-fluoro-N-(2-methoxyphenyl)-4-propan-2-yloxybenzenesulfonamide is COc1ccccc1NS(=O)(=O)c1ccc(OC(C)C)c(F)c1.
What is the InChIKey of 3-fluoro-N-(2-methoxyphenyl)-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is AHSOYTVPVNCQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO4S/c1-11(2)22-15-9-8-12(10-13(15)17)23(19,20)18-14-6-4-5-7-16(14)21-3/h4-11,18H,1-3H3.
What are the key properties of 3-fluoro-N-(2-methoxyphenyl)-4-propan-2-yloxybenzenesulfonamide?
3-fluoro-N-(2-methoxyphenyl)-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 339.39 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-methoxyphenyl)-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 110758242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).