N-[5-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)-2-methylphenyl]methanesulfonamide

C14H17FN2O3S — CID 136521191

IUPACN-[5-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)-2-methylphenyl]methanesulfonamide
SMILESCc1ccc(C(=O)N2CCC=C(F)C2)cc1NS(C)(=O)=O
InChIInChI=1S/C14H17FN2O3S/c1-10-5-6-11(8-13(10)16-21(2,19)20)14(18)17-7-3-4-12(15)9-17/h4-6,8,16H,3,7,9H2,1-2H3
InChIKeyDKLVTWULMVTKSW-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.07
Rot. Bonds3

About N-[5-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)-2-methylphenyl]methanesulfonamide

N-[5-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)-2-methylphenyl]methanesulfonamide (PubChem CID 136521191) has the molecular formula C14H17FN2O3S and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[5-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)-2-methylphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)-2-methylphenyl]methanesulfonamide
PubChem CID136521191
Molecular FormulaC14H17FN2O3S
Molecular Weight312.37 g/mol
Exact Mass312.09
IUPAC NameN-[5-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)-2-methylphenyl]methanesulfonamide
SMILESCc1ccc(C(=O)N2CCC=C(F)C2)cc1NS(C)(=O)=O
InChIInChI=1S/C14H17FN2O3S/c1-10-5-6-11(8-13(10)16-21(2,19)20)14(18)17-7-3-4-12(15)9-17/h4-6,8,16H,3,7,9H2,1-2H3
InChIKeyDKLVTWULMVTKSW-UHFFFAOYSA-N
XLogP2.07
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-methyl-5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 39457332
N-[5-[2-(4-fluorophenyl)morpholine-4-carbonyl]-2-methylphenyl]methanesulfonamide
CID 134044426
N-[2-methyl-5-[4-(4-methylsulfonylphenyl)piperidine-1-carbonyl]phenyl]methanesulfonamide
CID 25153153
N-[5-[2-(aminomethyl)pyrrolidine-1-carbonyl]-2-methylphenyl]methanesulfonamide
CID 119632504
N-[5-[4-[(4-chlorophenyl)methyl]-1,4-diazepane-1-carbonyl]-2-methylphenyl]methanesulfonamide
CID 55685272
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(methanesulfonamido)-4-methylbenzamide
CID 49073210
N-[2-methyl-5-(1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonyl)phenyl]methanesulfonamide
CID 166208726
N-[2-methyl-5-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 55560064
N-[2-methyl-5-(2-methylpiperazine-1-carbonyl)phenyl]methanesulfonamide;hydrochloride
CID 119471526
N-[5-[4-[4-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylphenyl]piperidine-1-carbonyl]-2-methylphenyl]methanesulfonamide
CID 68945596
N-[2-fluoro-5-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]methanesulfonamide
CID 119544105
N-(4-fluorophenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 19062500

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)-2-methylphenyl]methanesulfonamide?
The IUPAC name of N-[5-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)-2-methylphenyl]methanesulfonamide (CID 136521191) is N-[5-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)-2-methylphenyl]methanesulfonamide.
What is the SMILES notation for N-[5-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)-2-methylphenyl]methanesulfonamide?
The canonical SMILES for N-[5-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)-2-methylphenyl]methanesulfonamide is Cc1ccc(C(=O)N2CCC=C(F)C2)cc1NS(C)(=O)=O.
What is the InChIKey of N-[5-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)-2-methylphenyl]methanesulfonamide?
The InChIKey is DKLVTWULMVTKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3S/c1-10-5-6-11(8-13(10)16-21(2,19)20)14(18)17-7-3-4-12(15)9-17/h4-6,8,16H,3,7,9H2,1-2H3.
What are the key properties of N-[5-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)-2-methylphenyl]methanesulfonamide?
N-[5-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)-2-methylphenyl]methanesulfonamide has a molecular weight of 312.37 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)-2-methylphenyl]methanesulfonamide is sourced from PubChem (CID 136521191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).