N-[4-[(dimethylamino)methyl]-2-pyridinyl]-2-phenylethanesulfonamide

C16H21N3O2S — CID 71971399

IUPACN-[4-[(dimethylamino)methyl]-2-pyridinyl]-2-phenylethanesulfonamide
SMILESCN(C)Cc1ccnc(NS(=O)(=O)CCc2ccccc2)c1
InChIInChI=1S/C16H21N3O2S/c1-19(2)13-15-8-10-17-16(12-15)18-22(20,21)11-9-14-6-4-3-5-7-14/h3-8,10,12H,9,11,13H2,1-2H3,(H,17,18)
InChIKeyJNQYIFVPPGJZHO-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.13
Rot. Bonds7

About N-[4-[(dimethylamino)methyl]-2-pyridinyl]-2-phenylethanesulfonamide

N-[4-[(dimethylamino)methyl]-2-pyridinyl]-2-phenylethanesulfonamide (PubChem CID 71971399) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-[4-[(dimethylamino)methyl]-2-pyridinyl]-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-[4-[(dimethylamino)methyl]-2-pyridinyl]-2-phenylethanesulfonamide
PubChem CID71971399
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC NameN-[4-[(dimethylamino)methyl]-2-pyridinyl]-2-phenylethanesulfonamide
SMILESCN(C)Cc1ccnc(NS(=O)(=O)CCc2ccccc2)c1
InChIInChI=1S/C16H21N3O2S/c1-19(2)13-15-8-10-17-16(12-15)18-22(20,21)11-9-14-6-4-3-5-7-14/h3-8,10,12H,9,11,13H2,1-2H3,(H,17,18)
InChIKeyJNQYIFVPPGJZHO-UHFFFAOYSA-N
XLogP2.13
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Phenyl-2-pyridinamine
CID 105097
1-[(4-Methylphenyl)sulfonyl]-4-(2-pyridinyl)piperazine
CID 735815
Thiourea, N-(5-methyl-2-pyridinyl)-N'-(2-phenylethyl)-
CID 971434
5-[4-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-but-1-ynyl]-pyridin-2-ylamine
CID 10357631
Arylsulfonylpiperazine, 6
CID 44237014
N-(4-Methyl-2-pyridyl)benzenesulfonamide
CID 739341
N-[5-(trifluoromethyl)pyridin-2-yl]benzenesulfonamide
CID 2815858
N-(pyridin-2-yl)methanesulfonamide
CID 2831904
4-Methyl-N-pyridin-2-YL-benzenesulfonamide
CID 402911
Arylsulfonylpiperazine, 24
CID 44237027
4-[2-[[5-(Trifluoromethyl)pyridin-2-yl]amino]ethyl]benzenesulfonamide
CID 2537673
1-(4-Methylphenyl)sulfonyl-3-(5-methyl-2-pyridinyl)urea
CID 4062849

Frequently Asked Questions

What is the IUPAC name of N-[4-[(dimethylamino)methyl]-2-pyridinyl]-2-phenylethanesulfonamide?
The IUPAC name of N-[4-[(dimethylamino)methyl]-2-pyridinyl]-2-phenylethanesulfonamide (CID 71971399) is N-[4-[(dimethylamino)methyl]-2-pyridinyl]-2-phenylethanesulfonamide.
What is the SMILES notation for N-[4-[(dimethylamino)methyl]-2-pyridinyl]-2-phenylethanesulfonamide?
The canonical SMILES for N-[4-[(dimethylamino)methyl]-2-pyridinyl]-2-phenylethanesulfonamide is CN(C)Cc1ccnc(NS(=O)(=O)CCc2ccccc2)c1.
What is the InChIKey of N-[4-[(dimethylamino)methyl]-2-pyridinyl]-2-phenylethanesulfonamide?
The InChIKey is JNQYIFVPPGJZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-19(2)13-15-8-10-17-16(12-15)18-22(20,21)11-9-14-6-4-3-5-7-14/h3-8,10,12H,9,11,13H2,1-2H3,(H,17,18).
What are the key properties of N-[4-[(dimethylamino)methyl]-2-pyridinyl]-2-phenylethanesulfonamide?
N-[4-[(dimethylamino)methyl]-2-pyridinyl]-2-phenylethanesulfonamide has a molecular weight of 319.43 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(dimethylamino)methyl]-2-pyridinyl]-2-phenylethanesulfonamide is sourced from PubChem (CID 71971399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).