N-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide

C15H18N2O2S — CID 110360932

IUPACN-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide
SMILESCc1ccc(N(Cc2cccnc2)S(C)(=O)=O)cc1C
InChIInChI=1S/C15H18N2O2S/c1-12-6-7-15(9-13(12)2)17(20(3,18)19)11-14-5-4-8-16-10-14/h4-10H,11H2,1-3H3
InChIKeyUQZMFJIDKAADQB-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.66
Rot. Bonds4

About N-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide

N-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide (PubChem CID 110360932) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide
PubChem CID110360932
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide
SMILESCc1ccc(N(Cc2cccnc2)S(C)(=O)=O)cc1C
InChIInChI=1S/C15H18N2O2S/c1-12-6-7-15(9-13(12)2)17(20(3,18)19)11-14-5-4-8-16-10-14/h4-10H,11H2,1-3H3
InChIKeyUQZMFJIDKAADQB-UHFFFAOYSA-N
XLogP2.66
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360936
N-(3-iodo-4-propoxyphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 19844897
1-(3,4-dimethylphenyl)-3,3-diethyl-1-(pyridin-3-ylmethyl)urea
CID 110360929
N-methyl-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 58150961
N-(4-chloro-2-methoxyphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 14720349
1-(3,4-dimethylphenyl)-3-propyl-1-(pyridin-3-ylmethyl)urea
CID 110360931
N-(3,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]methanesulfonamide
CID 961740
N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360446
N-(4-fluorophenyl)-3,5-dimethyl-N-(pyridin-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 110360875
N-[2-fluoro-4-(4-fluorophenyl)phenyl]-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 73352682
2-[(3,4-dimethylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]acetic acid
CID 146128171
N-(3-methylphenyl)-2-phenyl-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 110360388

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide?
The IUPAC name of N-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide (CID 110360932) is N-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide is Cc1ccc(N(Cc2cccnc2)S(C)(=O)=O)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide?
The InChIKey is UQZMFJIDKAADQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-12-6-7-15(9-13(12)2)17(20(3,18)19)11-14-5-4-8-16-10-14/h4-10H,11H2,1-3H3.
What are the key properties of N-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide?
N-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide has a molecular weight of 290.39 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide is sourced from PubChem (CID 110360932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).