N,1-diphenyl-N-(1-pyridin-2-ylethyl)methanesulfonamide

C20H20N2O2S — CID 4209849

IUPACN,1-diphenyl-N-(1-pyridin-2-ylethyl)methanesulfonamide
SMILESCC(c1ccccn1)N(c1ccccc1)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C20H20N2O2S/c1-17(20-14-8-9-15-21-20)22(19-12-6-3-7-13-19)25(23,24)16-18-10-4-2-5-11-18/h2-15,17H,16H2,1H3
InChIKeyJQOJTAIJQJGZBC-UHFFFAOYSA-N
MW352.46 g/mol
LogP4.18
Rot. Bonds6

About N,1-diphenyl-N-(1-pyridin-2-ylethyl)methanesulfonamide

N,1-diphenyl-N-(1-pyridin-2-ylethyl)methanesulfonamide (PubChem CID 4209849) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is N,1-diphenyl-N-(1-pyridin-2-ylethyl)methanesulfonamide.

Molecular Properties

Compound NameN,1-diphenyl-N-(1-pyridin-2-ylethyl)methanesulfonamide
PubChem CID4209849
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC NameN,1-diphenyl-N-(1-pyridin-2-ylethyl)methanesulfonamide
SMILESCC(c1ccccn1)N(c1ccccc1)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C20H20N2O2S/c1-17(20-14-8-9-15-21-20)22(19-12-6-3-7-13-19)25(23,24)16-18-10-4-2-5-11-18/h2-15,17H,16H2,1H3
InChIKeyJQOJTAIJQJGZBC-UHFFFAOYSA-N
XLogP4.18
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-phenyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 3741145
N-[4-[phenyl(1-pyridin-2-ylethyl)sulfamoyl]phenyl]acetamide
CID 3712981
1-pyridin-2-yl-N,N-bis(1-pyridin-2-ylethyl)ethanamine
CID 15806675
(N-benzylsulfonylanilino)-ethylmercury
CID 70564903
N-benzyl-N-phenylpyridine-2-sulfonamide
CID 102301711
2-[methyl-[(1R)-1-pyridin-2-ylethyl]amino]acetic acid
CID 95935067
N-ethyl-N-(2-methylsulfonylethyl)-1-pyridin-2-ylethanamine
CID 84590033
N-[(2S)-2-hydroxypropyl]-N-methyl-1-phenylmethanesulfonamide
CID 94404339
3-[methyl(1-pyridin-2-ylethyl)amino]propanoic acid
CID 65063476
3-[methyl(1-pyridin-2-ylethyl)amino]butanoic acid
CID 110838590
1-(4-chlorophenyl)-N-[(1S)-1-pyridin-2-ylethyl]methanesulfonamide
CID 95968872
(1R)-1-pyridin-2-ylethanesulfonamide
CID 94347246

Frequently Asked Questions

What is the IUPAC name of N,1-diphenyl-N-(1-pyridin-2-ylethyl)methanesulfonamide?
The IUPAC name of N,1-diphenyl-N-(1-pyridin-2-ylethyl)methanesulfonamide (CID 4209849) is N,1-diphenyl-N-(1-pyridin-2-ylethyl)methanesulfonamide.
What is the SMILES notation for N,1-diphenyl-N-(1-pyridin-2-ylethyl)methanesulfonamide?
The canonical SMILES for N,1-diphenyl-N-(1-pyridin-2-ylethyl)methanesulfonamide is CC(c1ccccn1)N(c1ccccc1)S(=O)(=O)Cc1ccccc1.
What is the InChIKey of N,1-diphenyl-N-(1-pyridin-2-ylethyl)methanesulfonamide?
The InChIKey is JQOJTAIJQJGZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-17(20-14-8-9-15-21-20)22(19-12-6-3-7-13-19)25(23,24)16-18-10-4-2-5-11-18/h2-15,17H,16H2,1H3.
What are the key properties of N,1-diphenyl-N-(1-pyridin-2-ylethyl)methanesulfonamide?
N,1-diphenyl-N-(1-pyridin-2-ylethyl)methanesulfonamide has a molecular weight of 352.46 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-diphenyl-N-(1-pyridin-2-ylethyl)methanesulfonamide is sourced from PubChem (CID 4209849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).