N-ethyl-2-phenyl-N-(pyridin-2-ylmethyl)propane-1-sulfonamide

C17H22N2O2S — CID 71914419

IUPACN-ethyl-2-phenyl-N-(pyridin-2-ylmethyl)propane-1-sulfonamide
SMILESCCN(Cc1ccccn1)S(=O)(=O)CC(C)c1ccccc1
InChIInChI=1S/C17H22N2O2S/c1-3-19(13-17-11-7-8-12-18-17)22(20,21)14-15(2)16-9-5-4-6-10-16/h4-12,15H,3,13-14H2,1-2H3
InChIKeyKVXNDMRGBCIJRY-UHFFFAOYSA-N
MW318.44 g/mol
LogP3.04
Rot. Bonds7

About N-ethyl-2-phenyl-N-(pyridin-2-ylmethyl)propane-1-sulfonamide

N-ethyl-2-phenyl-N-(pyridin-2-ylmethyl)propane-1-sulfonamide (PubChem CID 71914419) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-ethyl-2-phenyl-N-(pyridin-2-ylmethyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-ethyl-2-phenyl-N-(pyridin-2-ylmethyl)propane-1-sulfonamide
PubChem CID71914419
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC NameN-ethyl-2-phenyl-N-(pyridin-2-ylmethyl)propane-1-sulfonamide
SMILESCCN(Cc1ccccn1)S(=O)(=O)CC(C)c1ccccc1
InChIInChI=1S/C17H22N2O2S/c1-3-19(13-17-11-7-8-12-18-17)22(20,21)14-15(2)16-9-5-4-6-10-16/h4-12,15H,3,13-14H2,1-2H3
InChIKeyKVXNDMRGBCIJRY-UHFFFAOYSA-N
XLogP3.04
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-phenylpropane-1-sulfonamide
CID 80686932
N-ethyl-1-ethylsulfonyl-N-(pyridin-2-ylmethyl)propan-2-amine
CID 71931375
N-(2-methylpropyl)-N-(pyridin-2-ylmethyl)methanesulfonamide
CID 59341012
(1R,2R)-N,N'-dimethyl-1,2-diphenyl-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 177492952
1-ethylsulfonyl-N-(pyridin-2-ylmethyl)propan-2-amine
CID 115626100
N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)propane-2-sulfonamide
CID 61355533
4-[ethyl(pyridin-2-ylmethyl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid
CID 136572017
5-[bis(pyridin-2-ylmethyl)amino]hexanoic acid
CID 141092997
2-methylsulfonyl-1-phenyl-N-(pyridin-2-ylmethyl)ethanamine
CID 75443632
N-(3-amino-4-pyridinyl)-N-methyl-2-phenylpropane-1-sulfonamide
CID 80691123
1-chloro-N-methyl-N-(pyridin-2-ylmethyl)methanesulfonamide
CID 63666756
3-[ethyl(pyridin-2-ylmethyl)amino]propanoic acid
CID 61010631

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-phenyl-N-(pyridin-2-ylmethyl)propane-1-sulfonamide?
The IUPAC name of N-ethyl-2-phenyl-N-(pyridin-2-ylmethyl)propane-1-sulfonamide (CID 71914419) is N-ethyl-2-phenyl-N-(pyridin-2-ylmethyl)propane-1-sulfonamide.
What is the SMILES notation for N-ethyl-2-phenyl-N-(pyridin-2-ylmethyl)propane-1-sulfonamide?
The canonical SMILES for N-ethyl-2-phenyl-N-(pyridin-2-ylmethyl)propane-1-sulfonamide is CCN(Cc1ccccn1)S(=O)(=O)CC(C)c1ccccc1.
What is the InChIKey of N-ethyl-2-phenyl-N-(pyridin-2-ylmethyl)propane-1-sulfonamide?
The InChIKey is KVXNDMRGBCIJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-3-19(13-17-11-7-8-12-18-17)22(20,21)14-15(2)16-9-5-4-6-10-16/h4-12,15H,3,13-14H2,1-2H3.
What are the key properties of N-ethyl-2-phenyl-N-(pyridin-2-ylmethyl)propane-1-sulfonamide?
N-ethyl-2-phenyl-N-(pyridin-2-ylmethyl)propane-1-sulfonamide has a molecular weight of 318.44 g/mol, XLogP of 3.04, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-phenyl-N-(pyridin-2-ylmethyl)propane-1-sulfonamide is sourced from PubChem (CID 71914419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).