N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)benzenesulfonamide

C19H18N2O2S — CID 86922552

IUPACN-methyl-2-phenyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCN(Cc1cccnc1)S(=O)(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C19H18N2O2S/c1-21(15-16-8-7-13-20-14-16)24(22,23)19-12-6-5-11-18(19)17-9-3-2-4-10-17/h2-14H,15H2,1H3
InChIKeyCXQXXPAZLSILJW-UHFFFAOYSA-N
MW338.43 g/mol
LogP3.57
Rot. Bonds5

About N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)benzenesulfonamide

N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)benzenesulfonamide (PubChem CID 86922552) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-2-phenyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
PubChem CID86922552
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC NameN-methyl-2-phenyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCN(Cc1cccnc1)S(=O)(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C19H18N2O2S/c1-21(15-16-8-7-13-20-14-16)24(22,23)19-12-6-5-11-18(19)17-9-3-2-4-10-17/h2-14H,15H2,1H3
InChIKeyCXQXXPAZLSILJW-UHFFFAOYSA-N
XLogP3.57
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-9,10-dioxo-N-(pyridin-3-ylmethyl)anthracene-1-sulfonamide
CID 3853066
2-[methyl(pyridin-3-ylmethyl)sulfamoyl]benzoic acid
CID 43471408
N-methyl-1-phenyl-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 47121805
2-hydrazinyl-N-methyl-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide
CID 43563717
N-methyl-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 58150961
2-amino-N,4,5-trimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 43563351
N-methyl-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]-2-phenylbenzenesulfonamide
CID 153188468
2-fluoro-4-(hydroxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 79178544
4-chloro-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 47103942
N-ethyl-N-[methyl(pyridin-3-ylmethyl)sulfamoyl]ethanamine
CID 86916823
5-amino-2,4-difluoro-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 43563355
4-bromo-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 116528118

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)benzenesulfonamide (CID 86922552) is N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)benzenesulfonamide is CN(Cc1cccnc1)S(=O)(=O)c1ccccc1-c1ccccc1.
What is the InChIKey of N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The InChIKey is CXQXXPAZLSILJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-21(15-16-8-7-13-20-14-16)24(22,23)19-12-6-5-11-18(19)17-9-3-2-4-10-17/h2-14H,15H2,1H3.
What are the key properties of N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)benzenesulfonamide has a molecular weight of 338.43 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 86922552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).