2-fluoro-5-methyl-N-(2-piperidin-1-ylphenyl)benzenesulfonamide

C18H21FN2O2S — CID 60533118

IUPAC2-fluoro-5-methyl-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
SMILESCc1ccc(F)c(S(=O)(=O)Nc2ccccc2N2CCCCC2)c1
InChIInChI=1S/C18H21FN2O2S/c1-14-9-10-15(19)18(13-14)24(22,23)20-16-7-3-4-8-17(16)21-11-5-2-6-12-21/h3-4,7-10,13,20H,2,5-6,11-12H2,1H3
InChIKeyJKSRSXRYWYOLDG-UHFFFAOYSA-N
MW348.44 g/mol
LogP3.93
Rot. Bonds4

About 2-fluoro-5-methyl-N-(2-piperidin-1-ylphenyl)benzenesulfonamide

2-fluoro-5-methyl-N-(2-piperidin-1-ylphenyl)benzenesulfonamide (PubChem CID 60533118) has the molecular formula C18H21FN2O2S and a molecular weight of 348.44 g/mol. Its IUPAC name is 2-fluoro-5-methyl-N-(2-piperidin-1-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-5-methyl-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
PubChem CID60533118
Molecular FormulaC18H21FN2O2S
Molecular Weight348.44 g/mol
Exact Mass348.13
IUPAC Name2-fluoro-5-methyl-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
SMILESCc1ccc(F)c(S(=O)(=O)Nc2ccccc2N2CCCCC2)c1
InChIInChI=1S/C18H21FN2O2S/c1-14-9-10-15(19)18(13-14)24(22,23)20-16-7-3-4-8-17(16)21-11-5-2-6-12-21/h3-4,7-10,13,20H,2,5-6,11-12H2,1H3
InChIKeyJKSRSXRYWYOLDG-UHFFFAOYSA-N
XLogP3.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 2336116
N-[2-(4-acetylpiperazin-1-yl)phenyl]-4-methylbenzenesulfonamide
CID 169371936
N-[2-(difluoromethoxy)phenyl]-2-fluoro-5-methylbenzenesulfonamide
CID 60532633
2-[(2-fluoro-5-methylphenyl)sulfonylamino]-5-methylbenzoic acid
CID 51114826
4-bromo-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
CID 2435475
N-methyl-4-[(2-piperidin-1-ylphenyl)sulfamoyl]benzamide
CID 17496437
2,5-difluoro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8841824
2-fluoro-5-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]aniline
CID 43772755
4-[(2-piperidin-1-ylphenyl)sulfamoyl]benzamide
CID 51263382
4-cyano-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
CID 2814037
1-(2,4-dimethylphenyl)sulfonyl-N-(2-piperidin-1-ylphenyl)piperidine-4-carboxamide
CID 26520191
2-fluoro-5-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 47031499

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-N-(2-piperidin-1-ylphenyl)benzenesulfonamide?
The IUPAC name of 2-fluoro-5-methyl-N-(2-piperidin-1-ylphenyl)benzenesulfonamide (CID 60533118) is 2-fluoro-5-methyl-N-(2-piperidin-1-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-5-methyl-N-(2-piperidin-1-ylphenyl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-5-methyl-N-(2-piperidin-1-ylphenyl)benzenesulfonamide is Cc1ccc(F)c(S(=O)(=O)Nc2ccccc2N2CCCCC2)c1.
What is the InChIKey of 2-fluoro-5-methyl-N-(2-piperidin-1-ylphenyl)benzenesulfonamide?
The InChIKey is JKSRSXRYWYOLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2S/c1-14-9-10-15(19)18(13-14)24(22,23)20-16-7-3-4-8-17(16)21-11-5-2-6-12-21/h3-4,7-10,13,20H,2,5-6,11-12H2,1H3.
What are the key properties of 2-fluoro-5-methyl-N-(2-piperidin-1-ylphenyl)benzenesulfonamide?
2-fluoro-5-methyl-N-(2-piperidin-1-ylphenyl)benzenesulfonamide has a molecular weight of 348.44 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-N-(2-piperidin-1-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 60533118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).