3-(3-acetylphenyl)-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide

C21H20N2O3S — CID 171387338

IUPAC3-(3-acetylphenyl)-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCC(=O)c1cccc(-c2cccc(S(=O)(=O)N(C)Cc3cccnc3)c2)c1
InChIInChI=1S/C21H20N2O3S/c1-16(24)18-7-3-8-19(12-18)20-9-4-10-21(13-20)27(25,26)23(2)15-17-6-5-11-22-14-17/h3-14H,15H2,1-2H3
InChIKeyIVQCQYOXEFNVAR-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.77
Rot. Bonds6

About 3-(3-acetylphenyl)-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide

3-(3-acetylphenyl)-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide (PubChem CID 171387338) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is 3-(3-acetylphenyl)-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(3-acetylphenyl)-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
PubChem CID171387338
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC Name3-(3-acetylphenyl)-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCC(=O)c1cccc(-c2cccc(S(=O)(=O)N(C)Cc3cccnc3)c2)c1
InChIInChI=1S/C21H20N2O3S/c1-16(24)18-7-3-8-19(12-18)20-9-4-10-21(13-20)27(25,26)23(2)15-17-6-5-11-22-14-17/h3-14H,15H2,1-2H3
InChIKeyIVQCQYOXEFNVAR-UHFFFAOYSA-N
XLogP3.77
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetyl-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360476
4-bromo-3-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 103697191
4-cyano-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 3583133
1-[3-chloro-4-[methyl(pyridin-3-ylmethyl)amino]phenyl]ethanone
CID 62909147
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 86922552
N-methyl-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 58150961
3-acetyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 4713899
2-[methyl(pyridin-3-ylmethyl)sulfamoyl]benzoic acid
CID 43471408
3-acetyl-N-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 43272373
3-acetyl-N-methyl-N-[(2-nitrophenyl)methyl]benzenesulfonamide
CID 34107028
3-(3-acetylphenyl)-1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)urea
CID 52662096
1-[3-(pyridin-3-ylmethoxy)phenyl]ethanone
CID 24704115

Frequently Asked Questions

What is the IUPAC name of 3-(3-acetylphenyl)-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-(3-acetylphenyl)-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide (CID 171387338) is 3-(3-acetylphenyl)-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-(3-acetylphenyl)-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-(3-acetylphenyl)-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide is CC(=O)c1cccc(-c2cccc(S(=O)(=O)N(C)Cc3cccnc3)c2)c1.
What is the InChIKey of 3-(3-acetylphenyl)-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The InChIKey is IVQCQYOXEFNVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S/c1-16(24)18-7-3-8-19(12-18)20-9-4-10-21(13-20)27(25,26)23(2)15-17-6-5-11-22-14-17/h3-14H,15H2,1-2H3.
What are the key properties of 3-(3-acetylphenyl)-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
3-(3-acetylphenyl)-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide has a molecular weight of 380.47 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetylphenyl)-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 171387338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).