2-fluoro-5-methyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide

C13H19FN2O2S — CID 106995674

IUPAC2-fluoro-5-methyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide
SMILESCc1ccc(F)c(S(=O)(=O)NC2CCNC(C)C2)c1
InChIInChI=1S/C13H19FN2O2S/c1-9-3-4-12(14)13(7-9)19(17,18)16-11-5-6-15-10(2)8-11/h3-4,7,10-11,15-16H,5-6,8H2,1-2H3
InChIKeyDAXFVJPROVDGTB-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.55
Rot. Bonds3

About 2-fluoro-5-methyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide

2-fluoro-5-methyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide (PubChem CID 106995674) has the molecular formula C13H19FN2O2S and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-fluoro-5-methyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-5-methyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide
PubChem CID106995674
Molecular FormulaC13H19FN2O2S
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC Name2-fluoro-5-methyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide
SMILESCc1ccc(F)c(S(=O)(=O)NC2CCNC(C)C2)c1
InChIInChI=1S/C13H19FN2O2S/c1-9-3-4-12(14)13(7-9)19(17,18)16-11-5-6-15-10(2)8-11/h3-4,7,10-11,15-16H,5-6,8H2,1-2H3
InChIKeyDAXFVJPROVDGTB-UHFFFAOYSA-N
XLogP1.55
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-4-methyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120585737
5-bromo-2-fluoro-N-(2-methylpiperidin-4-yl)benzenesulfonamide
CID 120586069
2-fluoro-5-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120716722
4-fluoro-2,6-dimethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide
CID 107328379
5-chloro-N-(2-methylpiperidin-4-yl)-2-nitrobenzenesulfonamide
CID 120585645
4-fluoro-3,5-dimethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120586103
2,5-dimethyl-N-(2-methylpiperidin-4-yl)thiophene-3-sulfonamide
CID 106995677
2-fluoro-6-methyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120713810
2-chloro-6-fluoro-N-(2-methylpiperidin-4-yl)benzenesulfonamide
CID 120713789
2-fluoro-5-methyl-N-(6-oxopiperidin-3-yl)benzenesulfonamide
CID 62492163
2-cyano-3-fluoro-N-(2-methylpiperidin-4-yl)benzenesulfonamide
CID 106995781
N-(2-methylpiperidin-4-yl)-2-methylsulfanylbenzenesulfonamide
CID 120713766

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 2-fluoro-5-methyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide (CID 106995674) is 2-fluoro-5-methyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-5-methyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-5-methyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide is Cc1ccc(F)c(S(=O)(=O)NC2CCNC(C)C2)c1.
What is the InChIKey of 2-fluoro-5-methyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is DAXFVJPROVDGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2S/c1-9-3-4-12(14)13(7-9)19(17,18)16-11-5-6-15-10(2)8-11/h3-4,7,10-11,15-16H,5-6,8H2,1-2H3.
What are the key properties of 2-fluoro-5-methyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide?
2-fluoro-5-methyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 286.37 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 106995674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).