N-[2-[5-(hydroxymethyl)-3-pyridinyl]phenyl]methanesulfonamide

C13H14N2O3S — CID 173186512

IUPACN-[2-[5-(hydroxymethyl)-3-pyridinyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1-c1cncc(CO)c1
InChIInChI=1S/C13H14N2O3S/c1-19(17,18)15-13-5-3-2-4-12(13)11-6-10(9-16)7-14-8-11/h2-8,15-16H,9H2,1H3
InChIKeyJTJHISHKRMHMON-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.61
Rot. Bonds4

About N-[2-[5-(hydroxymethyl)-3-pyridinyl]phenyl]methanesulfonamide

N-[2-[5-(hydroxymethyl)-3-pyridinyl]phenyl]methanesulfonamide (PubChem CID 173186512) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is N-[2-[5-(hydroxymethyl)-3-pyridinyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[5-(hydroxymethyl)-3-pyridinyl]phenyl]methanesulfonamide
PubChem CID173186512
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC NameN-[2-[5-(hydroxymethyl)-3-pyridinyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1-c1cncc(CO)c1
InChIInChI=1S/C13H14N2O3S/c1-19(17,18)15-13-5-3-2-4-12(13)11-6-10(9-16)7-14-8-11/h2-8,15-16H,9H2,1H3
InChIKeyJTJHISHKRMHMON-UHFFFAOYSA-N
XLogP1.61
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methoxyphenyl)phenyl]methanesulfonamide
CID 23508536
3-[5-[5-(methanesulfonamido)-2-methylphenyl]-3-pyridinyl]propanoic acid
CID 167820078
N-[2-(pyrimidin-5-ylmethylamino)phenyl]methanesulfonamide
CID 62759740
N-[2-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]phenyl]methanesulfonamide
CID 90313538
N-(2-pyridin-4-ylphenyl)ethanesulfonamide
CID 86799036
3-[2-(methanesulfonamido)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117453435
N-[2-(2-hydroxyethyl)phenyl]methanesulfonamide
CID 117306913
2-[2-(methanesulfonamido)phenyl]benzoate
CID 171730361
N-[2-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]methanesulfonamide
CID 10314435
N-[2-[(3S,4R)-4-hydroxy-3-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromen-7-yl]phenyl]methanesulfonamide;N-[2-[(3R,4S)-4-hydroxy-3-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromen-7-yl]phenyl]methanesulfonamide
CID 159391351
N-(methylsulfamoyl)-2-phenylaniline
CID 19906873
6-[2-(methanesulfonamido)phenyl]pyridine-3-sulfonic acid
CID 87212310

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(hydroxymethyl)-3-pyridinyl]phenyl]methanesulfonamide?
The IUPAC name of N-[2-[5-(hydroxymethyl)-3-pyridinyl]phenyl]methanesulfonamide (CID 173186512) is N-[2-[5-(hydroxymethyl)-3-pyridinyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[5-(hydroxymethyl)-3-pyridinyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-[5-(hydroxymethyl)-3-pyridinyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccccc1-c1cncc(CO)c1.
What is the InChIKey of N-[2-[5-(hydroxymethyl)-3-pyridinyl]phenyl]methanesulfonamide?
The InChIKey is JTJHISHKRMHMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-19(17,18)15-13-5-3-2-4-12(13)11-6-10(9-16)7-14-8-11/h2-8,15-16H,9H2,1H3.
What are the key properties of N-[2-[5-(hydroxymethyl)-3-pyridinyl]phenyl]methanesulfonamide?
N-[2-[5-(hydroxymethyl)-3-pyridinyl]phenyl]methanesulfonamide has a molecular weight of 278.33 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(hydroxymethyl)-3-pyridinyl]phenyl]methanesulfonamide is sourced from PubChem (CID 173186512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).