N-[[4-(hydroxymethyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)methanesulfonamide

C15H18N2O3S — CID 110005953

IUPACN-[[4-(hydroxymethyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)methanesulfonamide
SMILESCS(=O)(=O)N(Cc1ccc(CO)cc1)Cc1ccccn1
InChIInChI=1S/C15H18N2O3S/c1-21(19,20)17(11-15-4-2-3-9-16-15)10-13-5-7-14(12-18)8-6-13/h2-9,18H,10-12H2,1H3
InChIKeyCJVWSLGWNLUANS-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.54
Rot. Bonds6

About N-[[4-(hydroxymethyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)methanesulfonamide

N-[[4-(hydroxymethyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)methanesulfonamide (PubChem CID 110005953) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-[[4-(hydroxymethyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)methanesulfonamide.

Molecular Properties

Compound NameN-[[4-(hydroxymethyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)methanesulfonamide
PubChem CID110005953
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC NameN-[[4-(hydroxymethyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)methanesulfonamide
SMILESCS(=O)(=O)N(Cc1ccc(CO)cc1)Cc1ccccn1
InChIInChI=1S/C15H18N2O3S/c1-21(19,20)17(11-15-4-2-3-9-16-15)10-13-5-7-14(12-18)8-6-13/h2-9,18H,10-12H2,1H3
InChIKeyCJVWSLGWNLUANS-UHFFFAOYSA-N
XLogP1.54
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpropyl)-N-(pyridin-2-ylmethyl)methanesulfonamide
CID 59341012
N-[(2-chloro-1,3-thiazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanesulfonamide
CID 122155298
N-benzyl-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide
CID 113151439
N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]-2-phenylacetamide
CID 113067268
N-[(4-fluorophenyl)methyl]-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]propanamide
CID 113139758
N-tert-butyl-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]propanamide
CID 113139783
3-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-(pyridin-4-ylmethyl)propanamide
CID 113139767
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(pyridin-2-ylmethyl)methanesulfonamide
CID 113151434
N-[(2-chloroquinolin-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanesulfonamide
CID 86818106
N-methyl-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide
CID 113139775
N-(4-chlorophenyl)-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide
CID 113151514
N-(3,5-dimethylphenyl)-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide
CID 113151497

Frequently Asked Questions

What is the IUPAC name of N-[[4-(hydroxymethyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)methanesulfonamide?
The IUPAC name of N-[[4-(hydroxymethyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)methanesulfonamide (CID 110005953) is N-[[4-(hydroxymethyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)methanesulfonamide.
What is the SMILES notation for N-[[4-(hydroxymethyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)methanesulfonamide?
The canonical SMILES for N-[[4-(hydroxymethyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)methanesulfonamide is CS(=O)(=O)N(Cc1ccc(CO)cc1)Cc1ccccn1.
What is the InChIKey of N-[[4-(hydroxymethyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)methanesulfonamide?
The InChIKey is CJVWSLGWNLUANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-21(19,20)17(11-15-4-2-3-9-16-15)10-13-5-7-14(12-18)8-6-13/h2-9,18H,10-12H2,1H3.
What are the key properties of N-[[4-(hydroxymethyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)methanesulfonamide?
N-[[4-(hydroxymethyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)methanesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(hydroxymethyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)methanesulfonamide is sourced from PubChem (CID 110005953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).