5-fluoro-2-(hydroxymethyl)-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide

C14H20FNO4S — CID 102919764

IUPAC5-fluoro-2-(hydroxymethyl)-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide
SMILESCN(CC1CCCCO1)S(=O)(=O)c1cc(F)ccc1CO
InChIInChI=1S/C14H20FNO4S/c1-16(9-13-4-2-3-7-20-13)21(18,19)14-8-12(15)6-5-11(14)10-17/h5-6,8,13,17H,2-4,7,9-10H2,1H3
InChIKeyYDLDEULJGGCOEP-UHFFFAOYSA-N
MW317.38 g/mol
LogP1.51
Rot. Bonds5

About 5-fluoro-2-(hydroxymethyl)-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide

5-fluoro-2-(hydroxymethyl)-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide (PubChem CID 102919764) has the molecular formula C14H20FNO4S and a molecular weight of 317.38 g/mol. Its IUPAC name is 5-fluoro-2-(hydroxymethyl)-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-2-(hydroxymethyl)-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide
PubChem CID102919764
Molecular FormulaC14H20FNO4S
Molecular Weight317.38 g/mol
Exact Mass317.11
IUPAC Name5-fluoro-2-(hydroxymethyl)-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide
SMILESCN(CC1CCCCO1)S(=O)(=O)c1cc(F)ccc1CO
InChIInChI=1S/C14H20FNO4S/c1-16(9-13-4-2-3-7-20-13)21(18,19)14-8-12(15)6-5-11(14)10-17/h5-6,8,13,17H,2-4,7,9-10H2,1H3
InChIKeyYDLDEULJGGCOEP-UHFFFAOYSA-N
XLogP1.51
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclobutylmethyl)-5-fluoro-2-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 102919837
4-fluoro-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 60750571
5-fluoro-2-(hydroxymethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 102919903
4-amino-3-fluoro-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 82843648
4-hydroxy-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 61435824
5-amino-4-bromo-2-fluoro-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 116530173
5-fluoro-2-(hydroxymethyl)-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide
CID 102919775
2-cyano-N-methyl-N-[[(2R)-oxan-2-yl]methyl]benzenesulfonamide
CID 94195591
N-(cyclobutylmethyl)-5-fluoro-N-methyl-2-(methylaminomethyl)benzenesulfonamide
CID 102920747
4-(aminomethyl)-2-fluoro-N-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 79190871
5-fluoro-2-(hydroxymethyl)-N-methyl-N-pentylbenzenesulfonamide
CID 102919704
3-amino-4-fluoro-N,5-dimethyl-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 115421434

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(hydroxymethyl)-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 5-fluoro-2-(hydroxymethyl)-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide (CID 102919764) is 5-fluoro-2-(hydroxymethyl)-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 5-fluoro-2-(hydroxymethyl)-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 5-fluoro-2-(hydroxymethyl)-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide is CN(CC1CCCCO1)S(=O)(=O)c1cc(F)ccc1CO.
What is the InChIKey of 5-fluoro-2-(hydroxymethyl)-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide?
The InChIKey is YDLDEULJGGCOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO4S/c1-16(9-13-4-2-3-7-20-13)21(18,19)14-8-12(15)6-5-11(14)10-17/h5-6,8,13,17H,2-4,7,9-10H2,1H3.
What are the key properties of 5-fluoro-2-(hydroxymethyl)-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide?
5-fluoro-2-(hydroxymethyl)-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide has a molecular weight of 317.38 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(hydroxymethyl)-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 102919764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).