N-methyl-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide

C15H18N2O2S — CID 110724733

IUPACN-methyl-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide
SMILESCc1ccc(CS(=O)(=O)N(C)Cc2cccnc2)cc1
InChIInChI=1S/C15H18N2O2S/c1-13-5-7-14(8-6-13)12-20(18,19)17(2)11-15-4-3-9-16-10-15/h3-10H,11-12H2,1-2H3
InChIKeyKNSOKWSDDKEICA-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.35
Rot. Bonds5

About N-methyl-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide

N-methyl-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide (PubChem CID 110724733) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-methyl-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide.

Molecular Properties

Compound NameN-methyl-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide
PubChem CID110724733
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN-methyl-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide
SMILESCc1ccc(CS(=O)(=O)N(C)Cc2cccnc2)cc1
InChIInChI=1S/C15H18N2O2S/c1-13-5-7-14(8-6-13)12-20(18,19)17(2)11-15-4-3-9-16-10-15/h3-10H,11-12H2,1-2H3
InChIKeyKNSOKWSDDKEICA-UHFFFAOYSA-N
XLogP2.35
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-phenyl-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 47121805
N-(4-fluorophenyl)-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 110360869
N-methyl-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 58150961
N-methyl-3-phenyl-N-(pyridin-3-ylmethyl)propane-1-sulfonamide
CID 110724741
N-ethyl-N-[methyl(pyridin-3-ylmethyl)sulfamoyl]ethanamine
CID 86916823
3-[(4-methylphenyl)sulfonylmethyl]pyridine
CID 14062684
2-amino-N,4,5-trimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 43563351
2-[methyl(pyridin-3-ylmethyl)sulfamoyl]benzoic acid
CID 43471408
N-ethyl-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 174517903
N-methyl-N-[methyl(pyridin-3-ylmethyl)sulfamoyl]butan-1-amine
CID 86931183
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 86922552
N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360446

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide?
The IUPAC name of N-methyl-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide (CID 110724733) is N-methyl-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide.
What is the SMILES notation for N-methyl-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide?
The canonical SMILES for N-methyl-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide is Cc1ccc(CS(=O)(=O)N(C)Cc2cccnc2)cc1.
What is the InChIKey of N-methyl-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide?
The InChIKey is KNSOKWSDDKEICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-13-5-7-14(8-6-13)12-20(18,19)17(2)11-15-4-3-9-16-10-15/h3-10H,11-12H2,1-2H3.
What are the key properties of N-methyl-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide?
N-methyl-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide has a molecular weight of 290.39 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide is sourced from PubChem (CID 110724733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).