N-[4-[(dimethylamino)methyl]-2-pyridinyl]-1-(3-fluorophenyl)methanesulfonamide

C15H18FN3O2S — CID 71920931

IUPACN-[4-[(dimethylamino)methyl]-2-pyridinyl]-1-(3-fluorophenyl)methanesulfonamide
SMILESCN(C)Cc1ccnc(NS(=O)(=O)Cc2cccc(F)c2)c1
InChIInChI=1S/C15H18FN3O2S/c1-19(2)10-12-6-7-17-15(9-12)18-22(20,21)11-13-4-3-5-14(16)8-13/h3-9H,10-11H2,1-2H3,(H,17,18)
InChIKeyMRMLKVGRCGVJFJ-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.22
Rot. Bonds6

About N-[4-[(dimethylamino)methyl]-2-pyridinyl]-1-(3-fluorophenyl)methanesulfonamide

N-[4-[(dimethylamino)methyl]-2-pyridinyl]-1-(3-fluorophenyl)methanesulfonamide (PubChem CID 71920931) has the molecular formula C15H18FN3O2S and a molecular weight of 323.39 g/mol. Its IUPAC name is N-[4-[(dimethylamino)methyl]-2-pyridinyl]-1-(3-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[4-[(dimethylamino)methyl]-2-pyridinyl]-1-(3-fluorophenyl)methanesulfonamide
PubChem CID71920931
Molecular FormulaC15H18FN3O2S
Molecular Weight323.39 g/mol
Exact Mass323.11
IUPAC NameN-[4-[(dimethylamino)methyl]-2-pyridinyl]-1-(3-fluorophenyl)methanesulfonamide
SMILESCN(C)Cc1ccnc(NS(=O)(=O)Cc2cccc(F)c2)c1
InChIInChI=1S/C15H18FN3O2S/c1-19(2)10-12-6-7-17-15(9-12)18-22(20,21)11-13-4-3-5-14(16)8-13/h3-9H,10-11H2,1-2H3,(H,17,18)
InChIKeyMRMLKVGRCGVJFJ-UHFFFAOYSA-N
XLogP2.22
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-(Trifluoromethyl)anilino)pyridine-3-Sulfonamide
CID 902072
Arylsulfonylpiperazine, 6
CID 44237014
N-(4-Fluorobenzyl)-N-(2-Methylpropyl)-6-{[1-(Methylsulfonyl)piperidin-4-Yl]amino}pyridine-3-Sulfonamide
CID 86277915
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
4-[2-[[5-(Trifluoromethyl)pyridin-2-yl]amino]ethyl]benzenesulfonamide
CID 2537673
1-(4-Methylphenyl)sulfonyl-3-(5-methyl-2-pyridinyl)urea
CID 4062849
N-methyl-N-[(4-methylphenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 4786643
4-tert-Butyl-N-(4-methyl-2-pyridinyl)benzenesulfonamide
CID 617324
Benzyl(phenylsulfonyl)-2-pyridylamine
CID 668956

Frequently Asked Questions

What is the IUPAC name of N-[4-[(dimethylamino)methyl]-2-pyridinyl]-1-(3-fluorophenyl)methanesulfonamide?
The IUPAC name of N-[4-[(dimethylamino)methyl]-2-pyridinyl]-1-(3-fluorophenyl)methanesulfonamide (CID 71920931) is N-[4-[(dimethylamino)methyl]-2-pyridinyl]-1-(3-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-[4-[(dimethylamino)methyl]-2-pyridinyl]-1-(3-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-[4-[(dimethylamino)methyl]-2-pyridinyl]-1-(3-fluorophenyl)methanesulfonamide is CN(C)Cc1ccnc(NS(=O)(=O)Cc2cccc(F)c2)c1.
What is the InChIKey of N-[4-[(dimethylamino)methyl]-2-pyridinyl]-1-(3-fluorophenyl)methanesulfonamide?
The InChIKey is MRMLKVGRCGVJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2S/c1-19(2)10-12-6-7-17-15(9-12)18-22(20,21)11-13-4-3-5-14(16)8-13/h3-9H,10-11H2,1-2H3,(H,17,18).
What are the key properties of N-[4-[(dimethylamino)methyl]-2-pyridinyl]-1-(3-fluorophenyl)methanesulfonamide?
N-[4-[(dimethylamino)methyl]-2-pyridinyl]-1-(3-fluorophenyl)methanesulfonamide has a molecular weight of 323.39 g/mol, XLogP of 2.22, 6 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]-1-(3-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 71920931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).