N-[2-fluoro-5-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]methanesulfonamide

C15H22FN3O3S — CID 119544105

IUPACN-[2-fluoro-5-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]methanesulfonamide
SMILESCNCC1CCN(C(=O)c2ccc(F)c(NS(C)(=O)=O)c2)CC1
InChIInChI=1S/C15H22FN3O3S/c1-17-10-11-5-7-19(8-6-11)15(20)12-3-4-13(16)14(9-12)18-23(2,21)22/h3-4,9,11,17-18H,5-8,10H2,1-2H3
InChIKeyMYBKOOLZWKBQJQ-UHFFFAOYSA-N
MW343.42 g/mol
LogP1.27
Rot. Bonds5

About N-[2-fluoro-5-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]methanesulfonamide

N-[2-fluoro-5-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]methanesulfonamide (PubChem CID 119544105) has the molecular formula C15H22FN3O3S and a molecular weight of 343.42 g/mol. Its IUPAC name is N-[2-fluoro-5-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-fluoro-5-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]methanesulfonamide
PubChem CID119544105
Molecular FormulaC15H22FN3O3S
Molecular Weight343.42 g/mol
Exact Mass343.14
IUPAC NameN-[2-fluoro-5-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]methanesulfonamide
SMILESCNCC1CCN(C(=O)c2ccc(F)c(NS(C)(=O)=O)c2)CC1
InChIInChI=1S/C15H22FN3O3S/c1-17-10-11-5-7-19(8-6-11)15(20)12-3-4-13(16)14(9-12)18-23(2,21)22/h3-4,9,11,17-18H,5-8,10H2,1-2H3
InChIKeyMYBKOOLZWKBQJQ-UHFFFAOYSA-N
XLogP1.27
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-fluoro-3-(trifluoromethyl)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119546114
N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-fluorophenyl]methanesulfonamide
CID 68943849
(2,5-difluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119543787
(5-bromo-2-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 55174313
(3-chlorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248550
4-fluoro-3-(methanesulfonamido)benzoic acid
CID 47002814
4-[4-fluoro-3-(methanesulfonamido)benzoyl]morpholine-2-carboxylic acid
CID 119239726
(3,4-diethoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119543155
[4-(methylaminomethyl)piperidin-1-yl]-phenylmethanone
CID 22983162
[4-(methylaminomethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 63248675
N,N-diethyl-2-methyl-5-[4-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119546294
N-cyclopentyl-2-methyl-5-[4-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 119544817

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]methanesulfonamide?
The IUPAC name of N-[2-fluoro-5-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]methanesulfonamide (CID 119544105) is N-[2-fluoro-5-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-fluoro-5-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-fluoro-5-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]methanesulfonamide is CNCC1CCN(C(=O)c2ccc(F)c(NS(C)(=O)=O)c2)CC1.
What is the InChIKey of N-[2-fluoro-5-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]methanesulfonamide?
The InChIKey is MYBKOOLZWKBQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O3S/c1-17-10-11-5-7-19(8-6-11)15(20)12-3-4-13(16)14(9-12)18-23(2,21)22/h3-4,9,11,17-18H,5-8,10H2,1-2H3.
What are the key properties of N-[2-fluoro-5-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]methanesulfonamide?
N-[2-fluoro-5-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]methanesulfonamide has a molecular weight of 343.42 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]methanesulfonamide is sourced from PubChem (CID 119544105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).