2-fluoro-4-(hydroxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide

C14H15FN2O3S — CID 79178544

IUPAC2-fluoro-4-(hydroxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCN(Cc1cccnc1)S(=O)(=O)c1ccc(CO)cc1F
InChIInChI=1S/C14H15FN2O3S/c1-17(9-12-3-2-6-16-8-12)21(19,20)14-5-4-11(10-18)7-13(14)15/h2-8,18H,9-10H2,1H3
InChIKeyXMIHOXAVVFYTPJ-UHFFFAOYSA-N
MW310.35 g/mol
LogP1.53
Rot. Bonds5

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

2-fluoro-4-(hydroxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide (PubChem CID 79178544) has the molecular formula C14H15FN2O3S and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-fluoro-4-(hydroxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-4-(hydroxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
PubChem CID79178544
Molecular FormulaC14H15FN2O3S
Molecular Weight310.35 g/mol
Exact Mass310.08
IUPAC Name2-fluoro-4-(hydroxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCN(Cc1cccnc1)S(=O)(=O)c1ccc(CO)cc1F
InChIInChI=1S/C14H15FN2O3S/c1-17(9-12-3-2-6-16-8-12)21(19,20)14-5-4-11(10-18)7-13(14)15/h2-8,18H,9-10H2,1H3
InChIKeyXMIHOXAVVFYTPJ-UHFFFAOYSA-N
XLogP1.53
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 47103942
4-bromo-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 116528118
5-amino-2,4-difluoro-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 43563355
4-(aminomethyl)-2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 79179205
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 86922552
4-bromo-3-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 103697191
2-fluoro-4-(hydroxymethyl)-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 79187726
N-benzyl-4-(chloromethyl)-2-fluoro-N-methylbenzenesulfonamide
CID 79180404
2-[methyl(pyridin-3-ylmethyl)sulfamoyl]benzoic acid
CID 43471408
2-amino-N,4,5-trimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 43563351
2-fluoro-N-(2-fluorophenyl)-4-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 79178765
N-methyl-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 58150961

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(hydroxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-fluoro-4-(hydroxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide (CID 79178544) is 2-fluoro-4-(hydroxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-4-(hydroxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-4-(hydroxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide is CN(Cc1cccnc1)S(=O)(=O)c1ccc(CO)cc1F.
What is the InChIKey of 2-fluoro-4-(hydroxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The InChIKey is XMIHOXAVVFYTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3S/c1-17(9-12-3-2-6-16-8-12)21(19,20)14-5-4-11(10-18)7-13(14)15/h2-8,18H,9-10H2,1H3.
What are the key properties of 2-fluoro-4-(hydroxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
2-fluoro-4-(hydroxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide has a molecular weight of 310.35 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(hydroxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 79178544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).