3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)benzenesulfonamide

C11H16FNO4S — CID 103887495

IUPAC3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)benzenesulfonamide
SMILESCOCC(CCO)NS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C11H16FNO4S/c1-17-8-10(5-6-14)13-18(15,16)11-4-2-3-9(12)7-11/h2-4,7,10,13-14H,5-6,8H2,1H3
InChIKeyHDMGPMFWQXFZMT-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.50
Rot. Bonds7

About 3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)benzenesulfonamide

3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)benzenesulfonamide (PubChem CID 103887495) has the molecular formula C11H16FNO4S and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)benzenesulfonamide
PubChem CID103887495
Molecular FormulaC11H16FNO4S
Molecular Weight277.32 g/mol
Exact Mass277.08
IUPAC Name3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)benzenesulfonamide
SMILESCOCC(CCO)NS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C11H16FNO4S/c1-17-8-10(5-6-14)13-18(15,16)11-4-2-3-9(12)7-11/h2-4,7,10,13-14H,5-6,8H2,1H3
InChIKeyHDMGPMFWQXFZMT-UHFFFAOYSA-N
XLogP0.50
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-hydroxy-1-methoxybutan-2-yl)-3-propanoylbenzenesulfonamide
CID 103887543
N-(4-bromo-1-methoxybutan-2-yl)-3-methylbenzenesulfonamide
CID 106158483
N-(3-amino-4-methoxybutyl)-3-fluorobenzenesulfonamide
CID 114163152
N-(4-hydroxy-1-methoxybutan-2-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 103861269
N-(1-chlorobutan-2-yl)-3-fluorobenzenesulfonamide
CID 65033552
2-amino-4-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)benzenesulfonamide
CID 106152688
2-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-5-nitrobenzenesulfonamide
CID 106156998
N-(4-amino-1-methoxybutan-2-yl)benzenesulfonamide
CID 114150891
N-(4-bromo-1-methoxybutan-2-yl)-2,5-difluorobenzenesulfonamide
CID 114151665
N-(1-hydroxypentan-3-yl)-3-(trifluoromethoxy)benzenesulfonamide
CID 115755279
5-tert-butyl-N-[(2S)-4-hydroxy-1-methoxybutan-2-yl]-2-methylbenzenesulfonamide
CID 97071037
4-bromo-2,6-dichloro-N-(4-hydroxy-1-methoxybutan-2-yl)benzenesulfonamide
CID 103861314

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)benzenesulfonamide?
The IUPAC name of 3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)benzenesulfonamide (CID 103887495) is 3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)benzenesulfonamide is COCC(CCO)NS(=O)(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)benzenesulfonamide?
The InChIKey is HDMGPMFWQXFZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO4S/c1-17-8-10(5-6-14)13-18(15,16)11-4-2-3-9(12)7-11/h2-4,7,10,13-14H,5-6,8H2,1H3.
What are the key properties of 3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)benzenesulfonamide?
3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)benzenesulfonamide has a molecular weight of 277.32 g/mol, XLogP of 0.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 103887495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).