3-fluoro-N-(3-hydroxybutyl)-4-methoxybenzenesulfonamide

C11H16FNO4S — CID 64912268

IUPAC3-fluoro-N-(3-hydroxybutyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCC(C)O)cc1F
InChIInChI=1S/C11H16FNO4S/c1-8(14)5-6-13-18(15,16)9-3-4-11(17-2)10(12)7-9/h3-4,7-8,13-14H,5-6H2,1-2H3
InChIKeyJGHAGOSLJAIFTE-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.88
Rot. Bonds6

About 3-fluoro-N-(3-hydroxybutyl)-4-methoxybenzenesulfonamide

3-fluoro-N-(3-hydroxybutyl)-4-methoxybenzenesulfonamide (PubChem CID 64912268) has the molecular formula C11H16FNO4S and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-fluoro-N-(3-hydroxybutyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-(3-hydroxybutyl)-4-methoxybenzenesulfonamide
PubChem CID64912268
Molecular FormulaC11H16FNO4S
Molecular Weight277.32 g/mol
Exact Mass277.08
IUPAC Name3-fluoro-N-(3-hydroxybutyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCC(C)O)cc1F
InChIInChI=1S/C11H16FNO4S/c1-8(14)5-6-13-18(15,16)9-3-4-11(17-2)10(12)7-9/h3-4,7-8,13-14H,5-6H2,1-2H3
InChIKeyJGHAGOSLJAIFTE-UHFFFAOYSA-N
XLogP0.88
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-fluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 82844340
3-fluoro-N-(3-hydroxybutyl)-4-nitrobenzenesulfonamide
CID 82854209
3,4-diethoxy-N-(3-hydroxybutyl)benzenesulfonamide
CID 64912288
3-fluoro-4-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824953
N-(3-hydroxybutyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 64911448
3-fluoro-4-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide
CID 83039010
3-fluoro-N-[3-(2-hydroxyethoxy)propyl]-4-methoxybenzenesulfonamide
CID 104600565
4-fluoro-N-(3-hydroxybutyl)-3-nitrobenzenesulfonamide
CID 64911034
3-cyano-4-fluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 64911013
N-(3-hydroxybutyl)-2-methoxy-5-methylbenzenesulfonamide
CID 64913326
5-amino-N-(3-hydroxybutyl)-2-methoxybenzenesulfonamide
CID 64928024
N-(3-hydroxybutyl)-2,5-dimethoxybenzenesulfonamide
CID 64912067

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(3-hydroxybutyl)-4-methoxybenzenesulfonamide?
The IUPAC name of 3-fluoro-N-(3-hydroxybutyl)-4-methoxybenzenesulfonamide (CID 64912268) is 3-fluoro-N-(3-hydroxybutyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-(3-hydroxybutyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-fluoro-N-(3-hydroxybutyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCCC(C)O)cc1F.
What is the InChIKey of 3-fluoro-N-(3-hydroxybutyl)-4-methoxybenzenesulfonamide?
The InChIKey is JGHAGOSLJAIFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO4S/c1-8(14)5-6-13-18(15,16)9-3-4-11(17-2)10(12)7-9/h3-4,7-8,13-14H,5-6H2,1-2H3.
What are the key properties of 3-fluoro-N-(3-hydroxybutyl)-4-methoxybenzenesulfonamide?
3-fluoro-N-(3-hydroxybutyl)-4-methoxybenzenesulfonamide has a molecular weight of 277.32 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(3-hydroxybutyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 64912268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).