5-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyridine-3-sulfonamide

C12H17FN2O4S — CID 114951778

IUPAC5-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyridine-3-sulfonamide
SMILESCN(CC1(O)CCOCC1)S(=O)(=O)c1cncc(F)c1
InChIInChI=1S/C12H17FN2O4S/c1-15(9-12(16)2-4-19-5-3-12)20(17,18)11-6-10(13)7-14-8-11/h6-8,16H,2-5,9H2,1H3
InChIKeyKETLCLRSNGOQIK-UHFFFAOYSA-N
MW304.34 g/mol
LogP0.38
Rot. Bonds4

About 5-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyridine-3-sulfonamide

5-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyridine-3-sulfonamide (PubChem CID 114951778) has the molecular formula C12H17FN2O4S and a molecular weight of 304.34 g/mol. Its IUPAC name is 5-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyridine-3-sulfonamide
PubChem CID114951778
Molecular FormulaC12H17FN2O4S
Molecular Weight304.34 g/mol
Exact Mass304.09
IUPAC Name5-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyridine-3-sulfonamide
SMILESCN(CC1(O)CCOCC1)S(=O)(=O)c1cncc(F)c1
InChIInChI=1S/C12H17FN2O4S/c1-15(9-12(16)2-4-19-5-3-12)20(17,18)11-6-10(13)7-14-8-11/h6-8,16H,2-5,9H2,1H3
InChIKeyKETLCLRSNGOQIK-UHFFFAOYSA-N
XLogP0.38
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N,4-dimethylbenzenesulfonamide
CID 114951868
N-[(4-hydroxyoxan-4-yl)methyl]-N,1-dimethylpyrazole-4-sulfonamide
CID 114951826
4-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N,2-dimethylbenzenesulfonamide
CID 114951847
4-chloro-2-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzenesulfonamide
CID 114951831
4-[(4-hydroxyoxan-4-yl)methyl-methylsulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 114948672
N-(2-bromoethyl)-5-fluoro-N-methylpyridine-3-sulfonamide
CID 80669199
N-[(4-hydroxyoxan-4-yl)methyl]-N,4,5-trimethylthiophene-2-sulfonamide
CID 139012579
5-[(4-hydroxyoxan-4-yl)methyl-methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 114948674
2-bromo-N-[(4-hydroxyoxan-4-yl)methyl]-N,4-dimethylbenzenesulfonamide
CID 114951833
N-(5-bromopentyl)-5-fluoro-N-methylpyridine-3-sulfonamide
CID 107206296
N-[4-(bromomethyl)oxan-4-yl]-5-fluoropyridine-3-sulfonamide
CID 106301327
4-[(5-fluoro-3-pyridinyl)sulfonyl]morpholine
CID 62039673

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyridine-3-sulfonamide?
The IUPAC name of 5-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyridine-3-sulfonamide (CID 114951778) is 5-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 5-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 5-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyridine-3-sulfonamide is CN(CC1(O)CCOCC1)S(=O)(=O)c1cncc(F)c1.
What is the InChIKey of 5-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyridine-3-sulfonamide?
The InChIKey is KETLCLRSNGOQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O4S/c1-15(9-12(16)2-4-19-5-3-12)20(17,18)11-6-10(13)7-14-8-11/h6-8,16H,2-5,9H2,1H3.
What are the key properties of 5-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyridine-3-sulfonamide?
5-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyridine-3-sulfonamide has a molecular weight of 304.34 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 114951778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).