2-fluoro-4-(hydroxymethyl)-N-(oxolan-3-ylmethyl)benzenesulfonamide

C12H16FNO4S — CID 79187243

IUPAC2-fluoro-4-(hydroxymethyl)-N-(oxolan-3-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1CCOC1)c1ccc(CO)cc1F
InChIInChI=1S/C12H16FNO4S/c13-11-5-9(7-15)1-2-12(11)19(16,17)14-6-10-3-4-18-8-10/h1-2,5,10,14-15H,3-4,6-8H2
InChIKeyYPCOYRZMZAKVNM-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.63
Rot. Bonds5

About 2-fluoro-4-(hydroxymethyl)-N-(oxolan-3-ylmethyl)benzenesulfonamide

2-fluoro-4-(hydroxymethyl)-N-(oxolan-3-ylmethyl)benzenesulfonamide (PubChem CID 79187243) has the molecular formula C12H16FNO4S and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-fluoro-4-(hydroxymethyl)-N-(oxolan-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-4-(hydroxymethyl)-N-(oxolan-3-ylmethyl)benzenesulfonamide
PubChem CID79187243
Molecular FormulaC12H16FNO4S
Molecular Weight289.33 g/mol
Exact Mass289.08
IUPAC Name2-fluoro-4-(hydroxymethyl)-N-(oxolan-3-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1CCOC1)c1ccc(CO)cc1F
InChIInChI=1S/C12H16FNO4S/c13-11-5-9(7-15)1-2-12(11)19(16,17)14-6-10-3-4-18-8-10/h1-2,5,10,14-15H,3-4,6-8H2
InChIKeyYPCOYRZMZAKVNM-UHFFFAOYSA-N
XLogP0.63
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-4-(methylaminomethyl)-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 106016517
2-fluoro-4-(hydroxymethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 106000293
5-amino-2-fluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 61116313
2,4-difluoro-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 110875681
3-amino-2,4-difluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 107343305
2-bromo-4-(hydroxymethyl)-N-[2-(oxolan-3-yl)ethyl]benzenesulfonamide
CID 106002108
4-chloro-N-[[(3R)-oxolan-3-yl]methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 94061203
N-(cyclopropylmethyl)-4-(ethylaminomethyl)-2-fluorobenzenesulfonamide
CID 79190650
2-fluoro-5-(methylaminomethyl)-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 106062919
4-bromo-3-fluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 103697478
5-(hydroxymethyl)-2-methoxy-N-[2-(oxolan-3-yl)ethyl]benzenesulfonamide
CID 106002086
2-[4-(oxolan-3-ylmethylsulfamoyl)phenyl]acetic acid
CID 60920003

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(hydroxymethyl)-N-(oxolan-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-fluoro-4-(hydroxymethyl)-N-(oxolan-3-ylmethyl)benzenesulfonamide (CID 79187243) is 2-fluoro-4-(hydroxymethyl)-N-(oxolan-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-4-(hydroxymethyl)-N-(oxolan-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-4-(hydroxymethyl)-N-(oxolan-3-ylmethyl)benzenesulfonamide is O=S(=O)(NCC1CCOC1)c1ccc(CO)cc1F.
What is the InChIKey of 2-fluoro-4-(hydroxymethyl)-N-(oxolan-3-ylmethyl)benzenesulfonamide?
The InChIKey is YPCOYRZMZAKVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO4S/c13-11-5-9(7-15)1-2-12(11)19(16,17)14-6-10-3-4-18-8-10/h1-2,5,10,14-15H,3-4,6-8H2.
What are the key properties of 2-fluoro-4-(hydroxymethyl)-N-(oxolan-3-ylmethyl)benzenesulfonamide?
2-fluoro-4-(hydroxymethyl)-N-(oxolan-3-ylmethyl)benzenesulfonamide has a molecular weight of 289.33 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(hydroxymethyl)-N-(oxolan-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 79187243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).