4-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide

C13H19FN2O2S — CID 715057

IUPAC4-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
SMILESCN1CCC(N(C)S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C13H19FN2O2S/c1-15-9-7-12(8-10-15)16(2)19(17,18)13-5-3-11(14)4-6-13/h3-6,12H,7-10H2,1-2H3
InChIKeyABIQOIQMOXNLQX-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.54
Rot. Bonds3

About 4-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide

4-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide (PubChem CID 715057) has the molecular formula C13H19FN2O2S and a molecular weight of 286.37 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
PubChem CID715057
Molecular FormulaC13H19FN2O2S
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC Name4-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
SMILESCN1CCC(N(C)S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C13H19FN2O2S/c1-15-9-7-12(8-10-15)16(2)19(17,18)13-5-3-11(14)4-6-13/h3-6,12H,7-10H2,1-2H3
InChIKeyABIQOIQMOXNLQX-UHFFFAOYSA-N
XLogP1.54
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,3-Dimethyl-N-((1R)-1-methyl-3-(4-methyl-1-piperidinyl)propyl)benzenesulfonamide
CID 5312148
1-Benzene sulfonyl-cis-2,6-dimethyl piperidine
CID 726586
1-(Phenylsulfonyl)piperidine
CID 78733
n,n-Dibutylbenzenesulfonamide
CID 220596
4-Methyl-1-(phenylsulfonyl)piperidine
CID 761422
4-Chloro-N-methyl-N-(1-methyl-piperidin-4-yl)-benzenesulfonamide
CID 1129292
N-(dipiperidin-1-yl-lambda~4~-sulfanylidene)benzenesulfonamide
CID 2830961
1-Methyl-4-(phenylsulfonyl)piperazine
CID 260251
4-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 850001
2,4-difluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 2471805
N-[1-(2-ethylpiperidin-1-yl)-2-methylpropan-2-yl]benzenesulfonamide
CID 4194972
N,N-diethyl-4-fluorobenzenesulfonamide
CID 669059

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide (CID 715057) is 4-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide is CN1CCC(N(C)S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 4-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is ABIQOIQMOXNLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2S/c1-15-9-7-12(8-10-15)16(2)19(17,18)13-5-3-11(14)4-6-13/h3-6,12H,7-10H2,1-2H3.
What are the key properties of 4-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
4-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 286.37 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 715057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).