3-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-4-methoxybenzenesulfonamide

C12H18FNO4S — CID 64557210

IUPAC3-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-4-methoxybenzenesulfonamide
SMILESCCC(C)(CO)NS(=O)(=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C12H18FNO4S/c1-4-12(2,8-15)14-19(16,17)9-5-6-11(18-3)10(13)7-9/h5-7,14-15H,4,8H2,1-3H3
InChIKeyIWWKCYKDIAYYSZ-UHFFFAOYSA-N
MW291.34 g/mol
LogP1.27
Rot. Bonds6

About 3-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-4-methoxybenzenesulfonamide

3-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-4-methoxybenzenesulfonamide (PubChem CID 64557210) has the molecular formula C12H18FNO4S and a molecular weight of 291.34 g/mol. Its IUPAC name is 3-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-4-methoxybenzenesulfonamide
PubChem CID64557210
Molecular FormulaC12H18FNO4S
Molecular Weight291.34 g/mol
Exact Mass291.09
IUPAC Name3-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-4-methoxybenzenesulfonamide
SMILESCCC(C)(CO)NS(=O)(=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C12H18FNO4S/c1-4-12(2,8-15)14-19(16,17)9-5-6-11(18-3)10(13)7-9/h5-7,14-15H,4,8H2,1-3H3
InChIKeyIWWKCYKDIAYYSZ-UHFFFAOYSA-N
XLogP1.27
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-(3-hydroxy-2,2-dimethylpropyl)-4-methoxybenzenesulfonamide
CID 115363072
N-(1-hydroxy-2-methylbutan-2-yl)-2,5-dimethoxybenzenesulfonamide
CID 64556227
N-(1-hydroxy-3-methylpentan-3-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 106169800
5-bromo-N-(1-hydroxy-2-methylbutan-2-yl)-2-methoxybenzenesulfonamide
CID 64557804
3-amino-N-(1-hydroxy-2-methylbutan-2-yl)-4-methylbenzenesulfonamide
CID 64549704
2-cyclopropyl-2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]propanoic acid
CID 43361649
N-(1-chloro-2-methylbutan-2-yl)-3,4-difluorobenzenesulfonamide
CID 65032918
N-(1-hydroxy-2-methylbutan-2-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 64555652
3-chloro-4-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 106169609
2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]butanoic acid
CID 43415053
4-methoxy-3-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 37478612
3-amino-5-fluoro-4-methoxy-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106327940

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-4-methoxybenzenesulfonamide?
The IUPAC name of 3-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-4-methoxybenzenesulfonamide (CID 64557210) is 3-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-4-methoxybenzenesulfonamide is CCC(C)(CO)NS(=O)(=O)c1ccc(OC)c(F)c1.
What is the InChIKey of 3-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-4-methoxybenzenesulfonamide?
The InChIKey is IWWKCYKDIAYYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO4S/c1-4-12(2,8-15)14-19(16,17)9-5-6-11(18-3)10(13)7-9/h5-7,14-15H,4,8H2,1-3H3.
What are the key properties of 3-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-4-methoxybenzenesulfonamide?
3-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-4-methoxybenzenesulfonamide has a molecular weight of 291.34 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 64557210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).