N-(4-fluoro-3-methoxyphenyl)-4-hydroxybenzenesulfonamide

C13H12FNO4S — CID 114840301

IUPACN-(4-fluoro-3-methoxyphenyl)-4-hydroxybenzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(O)cc2)ccc1F
InChIInChI=1S/C13H12FNO4S/c1-19-13-8-9(2-7-12(13)14)15-20(17,18)11-5-3-10(16)4-6-11/h2-8,15-16H,1H3
InChIKeyMMOXBSNKZQGVHN-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.34
Rot. Bonds4

About N-(4-fluoro-3-methoxyphenyl)-4-hydroxybenzenesulfonamide

N-(4-fluoro-3-methoxyphenyl)-4-hydroxybenzenesulfonamide (PubChem CID 114840301) has the molecular formula C13H12FNO4S and a molecular weight of 297.31 g/mol. Its IUPAC name is N-(4-fluoro-3-methoxyphenyl)-4-hydroxybenzenesulfonamide.

Molecular Properties

Compound NameN-(4-fluoro-3-methoxyphenyl)-4-hydroxybenzenesulfonamide
PubChem CID114840301
Molecular FormulaC13H12FNO4S
Molecular Weight297.31 g/mol
Exact Mass297.05
IUPAC NameN-(4-fluoro-3-methoxyphenyl)-4-hydroxybenzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(O)cc2)ccc1F
InChIInChI=1S/C13H12FNO4S/c1-19-13-8-9(2-7-12(13)14)15-20(17,18)11-5-3-10(16)4-6-11/h2-8,15-16H,1H3
InChIKeyMMOXBSNKZQGVHN-UHFFFAOYSA-N
XLogP2.34
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(4-fluoro-3-methoxyphenyl)-4-hydroxybenzenesulfonamide
CID 114837025
N-(4-fluoro-3-methoxyphenyl)-4-nitrobenzenesulfonamide
CID 124620748
N-(3-chloro-4-fluorophenyl)-4-fluoro-3-methoxybenzenesulfonamide
CID 119041012
3-amino-5-fluoro-N-(4-fluoro-3-methoxyphenyl)benzenesulfonamide
CID 114837099
5-[(4-fluoro-3-methoxyphenyl)sulfamoyl]furan-2-carboxylic acid
CID 114837506
4-chloro-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide
CID 808097
4-fluoro-N-(4-hydroxyphenyl)benzenesulfonamide
CID 764850
N-(4-fluoro-3-methoxyphenyl)-4-hydroxybenzamide
CID 114840048
N-(4-chlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 19109264
N-(3-amino-4-fluorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 43604875
3-amino-N-(4-chloro-3-methoxyphenyl)-4-fluorobenzenesulfonamide
CID 107620734
N-(4-fluoro-3-methoxyphenyl)-1-hydroxypropane-2-sulfonamide
CID 114135666

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methoxyphenyl)-4-hydroxybenzenesulfonamide?
The IUPAC name of N-(4-fluoro-3-methoxyphenyl)-4-hydroxybenzenesulfonamide (CID 114840301) is N-(4-fluoro-3-methoxyphenyl)-4-hydroxybenzenesulfonamide.
What is the SMILES notation for N-(4-fluoro-3-methoxyphenyl)-4-hydroxybenzenesulfonamide?
The canonical SMILES for N-(4-fluoro-3-methoxyphenyl)-4-hydroxybenzenesulfonamide is COc1cc(NS(=O)(=O)c2ccc(O)cc2)ccc1F.
What is the InChIKey of N-(4-fluoro-3-methoxyphenyl)-4-hydroxybenzenesulfonamide?
The InChIKey is MMOXBSNKZQGVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO4S/c1-19-13-8-9(2-7-12(13)14)15-20(17,18)11-5-3-10(16)4-6-11/h2-8,15-16H,1H3.
What are the key properties of N-(4-fluoro-3-methoxyphenyl)-4-hydroxybenzenesulfonamide?
N-(4-fluoro-3-methoxyphenyl)-4-hydroxybenzenesulfonamide has a molecular weight of 297.31 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methoxyphenyl)-4-hydroxybenzenesulfonamide is sourced from PubChem (CID 114840301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).