N-[4-[2-(hydroxymethyl)-4-pyridinyl]phenyl]methanesulfonamide

C13H14N2O3S — CID 39814969

IUPACN-[4-[2-(hydroxymethyl)-4-pyridinyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2ccnc(CO)c2)cc1
InChIInChI=1S/C13H14N2O3S/c1-19(17,18)15-12-4-2-10(3-5-12)11-6-7-14-13(8-11)9-16/h2-8,15-16H,9H2,1H3
InChIKeyFTHDKIMSHRBBNB-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.61
Rot. Bonds4

About N-[4-[2-(hydroxymethyl)-4-pyridinyl]phenyl]methanesulfonamide

N-[4-[2-(hydroxymethyl)-4-pyridinyl]phenyl]methanesulfonamide (PubChem CID 39814969) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is N-[4-[2-(hydroxymethyl)-4-pyridinyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-(hydroxymethyl)-4-pyridinyl]phenyl]methanesulfonamide
PubChem CID39814969
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC NameN-[4-[2-(hydroxymethyl)-4-pyridinyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2ccnc(CO)c2)cc1
InChIInChI=1S/C13H14N2O3S/c1-19(17,18)15-12-4-2-10(3-5-12)11-6-7-14-13(8-11)9-16/h2-8,15-16H,9H2,1H3
InChIKeyFTHDKIMSHRBBNB-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

(4-pyridin-4-yl-2-pyridinyl)methanol
CID 118807198
N-[3-[2-(hydroxymethyl)-4-pyridinyl]phenyl]acetamide
CID 39773386
methyl (2S)-2-amino-3-[4-[2-(hydroxymethyl)-4-pyridinyl]phenyl]propanoate
CID 66719274
4-[4-(methanesulfonamido)phenyl]benzenesulfonic acid
CID 90200210
N-[4-(3H-benzimidazol-5-yl)phenyl]methanesulfonamide
CID 39819464
methyl 3-[2-(hydroxymethyl)-4-pyridinyl]benzoate
CID 69489732
4-(2-propyl-4-pyridinyl)benzenesulfonic acid
CID 21452097
2-[4-[4-(methanesulfonamido)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N,N-dimethylacetamide
CID 24985628
N-[4-[6-amino-5-(6-methyl-3-pyridinyl)-3-pyridinyl]phenyl]methanesulfonamide
CID 71038038
2-amino-5-[4-(methanesulfonamido)phenyl]pyridine-3-carboxamide
CID 126674978
N-[4-[[4-(aminomethyl)-2-pyridinyl]oxy]phenyl]methanesulfonamide
CID 135305160
(4-tert-butyl-2-pyridinyl)methanol
CID 18799645

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(hydroxymethyl)-4-pyridinyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[2-(hydroxymethyl)-4-pyridinyl]phenyl]methanesulfonamide (CID 39814969) is N-[4-[2-(hydroxymethyl)-4-pyridinyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[2-(hydroxymethyl)-4-pyridinyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[2-(hydroxymethyl)-4-pyridinyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(-c2ccnc(CO)c2)cc1.
What is the InChIKey of N-[4-[2-(hydroxymethyl)-4-pyridinyl]phenyl]methanesulfonamide?
The InChIKey is FTHDKIMSHRBBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-19(17,18)15-12-4-2-10(3-5-12)11-6-7-14-13(8-11)9-16/h2-8,15-16H,9H2,1H3.
What are the key properties of N-[4-[2-(hydroxymethyl)-4-pyridinyl]phenyl]methanesulfonamide?
N-[4-[2-(hydroxymethyl)-4-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-[4-[2-(hydroxymethyl)-4-pyridinyl]phenyl]methanesulfonamide is sourced from PubChem (CID 39814969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).