N-[(1-acetylpiperidin-4-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide

C15H21FN2O3S — CID 110736227

IUPACN-[(1-acetylpiperidin-4-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide
SMILESCC(=O)N1CCC(CNS(=O)(=O)c2ccc(F)c(C)c2)CC1
InChIInChI=1S/C15H21FN2O3S/c1-11-9-14(3-4-15(11)16)22(20,21)17-10-13-5-7-18(8-6-13)12(2)19/h3-4,9,13,17H,5-8,10H2,1-2H3
InChIKeyGGASYVABYPETQK-UHFFFAOYSA-N
MW328.41 g/mol
LogP1.67
Rot. Bonds4

About N-[(1-acetylpiperidin-4-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide

N-[(1-acetylpiperidin-4-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide (PubChem CID 110736227) has the molecular formula C15H21FN2O3S and a molecular weight of 328.41 g/mol. Its IUPAC name is N-[(1-acetylpiperidin-4-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1-acetylpiperidin-4-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide
PubChem CID110736227
Molecular FormulaC15H21FN2O3S
Molecular Weight328.41 g/mol
Exact Mass328.13
IUPAC NameN-[(1-acetylpiperidin-4-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide
SMILESCC(=O)N1CCC(CNS(=O)(=O)c2ccc(F)c(C)c2)CC1
InChIInChI=1S/C15H21FN2O3S/c1-11-9-14(3-4-15(11)16)22(20,21)17-10-13-5-7-18(8-6-13)12(2)19/h3-4,9,13,17H,5-8,10H2,1-2H3
InChIKeyGGASYVABYPETQK-UHFFFAOYSA-N
XLogP1.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-fluoro-3-methylbenzenesulfonamide
CID 112991969
4-fluoro-3-methyl-N-[[1-[(3S)-thiolan-3-yl]piperidin-4-yl]methyl]benzenesulfonamide
CID 100682994
N-[(1-acetylpiperidin-4-yl)methyl]-4-methoxybenzenesulfonamide
CID 110736220
N-[(1-acetylpiperidin-4-yl)methyl]-2,4-dimethylbenzenesulfonamide
CID 110736222
N-[4-[4-[(1-acetylpiperidin-4-yl)methylsulfamoyl]phenyl]phenyl]acetamide
CID 166195615
4-[[(3-fluoro-4-methoxyphenyl)sulfonylamino]methyl]-N,N-dimethylpiperidine-1-carboxamide
CID 119103274
N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-4-fluoro-3-methylbenzenesulfonamide
CID 121108371
3-chloro-4-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887439
4-fluoro-3-methyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 112995681
1-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 119978268
3,4-difluoro-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 90521160
3-bromo-N-(cyclopropylmethyl)-4-fluorobenzenesulfonamide
CID 163393416

Frequently Asked Questions

What is the IUPAC name of N-[(1-acetylpiperidin-4-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide?
The IUPAC name of N-[(1-acetylpiperidin-4-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide (CID 110736227) is N-[(1-acetylpiperidin-4-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[(1-acetylpiperidin-4-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide?
The canonical SMILES for N-[(1-acetylpiperidin-4-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide is CC(=O)N1CCC(CNS(=O)(=O)c2ccc(F)c(C)c2)CC1.
What is the InChIKey of N-[(1-acetylpiperidin-4-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide?
The InChIKey is GGASYVABYPETQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3S/c1-11-9-14(3-4-15(11)16)22(20,21)17-10-13-5-7-18(8-6-13)12(2)19/h3-4,9,13,17H,5-8,10H2,1-2H3.
What are the key properties of N-[(1-acetylpiperidin-4-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide?
N-[(1-acetylpiperidin-4-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide has a molecular weight of 328.41 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-acetylpiperidin-4-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide is sourced from PubChem (CID 110736227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).