2-fluoro-5-methyl-N-(6-oxopiperidin-3-yl)benzenesulfonamide

C12H15FN2O3S — CID 62492163

IUPAC2-fluoro-5-methyl-N-(6-oxopiperidin-3-yl)benzenesulfonamide
SMILESCc1ccc(F)c(S(=O)(=O)NC2CCC(=O)NC2)c1
InChIInChI=1S/C12H15FN2O3S/c1-8-2-4-10(13)11(6-8)19(17,18)15-9-3-5-12(16)14-7-9/h2,4,6,9,15H,3,5,7H2,1H3,(H,14,16)
InChIKeyOVAZXOMLXDLECP-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.69
Rot. Bonds3

About 2-fluoro-5-methyl-N-(6-oxopiperidin-3-yl)benzenesulfonamide

2-fluoro-5-methyl-N-(6-oxopiperidin-3-yl)benzenesulfonamide (PubChem CID 62492163) has the molecular formula C12H15FN2O3S and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-fluoro-5-methyl-N-(6-oxopiperidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-5-methyl-N-(6-oxopiperidin-3-yl)benzenesulfonamide
PubChem CID62492163
Molecular FormulaC12H15FN2O3S
Molecular Weight286.33 g/mol
Exact Mass286.08
IUPAC Name2-fluoro-5-methyl-N-(6-oxopiperidin-3-yl)benzenesulfonamide
SMILESCc1ccc(F)c(S(=O)(=O)NC2CCC(=O)NC2)c1
InChIInChI=1S/C12H15FN2O3S/c1-8-2-4-10(13)11(6-8)19(17,18)15-9-3-5-12(16)14-7-9/h2,4,6,9,15H,3,5,7H2,1H3,(H,14,16)
InChIKeyOVAZXOMLXDLECP-UHFFFAOYSA-N
XLogP0.69
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-methyl-N-(6-oxopiperidin-3-yl)benzenesulfonamide
CID 62491455
2-fluoro-5-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120716722
2-chloro-5-fluoro-N-(6-oxopiperidin-3-yl)benzenesulfonamide
CID 115630700
2-fluoro-5-methyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide
CID 106995674
3-amino-5-chloro-2-fluoro-N-(6-oxopiperidin-3-yl)benzenesulfonamide
CID 103051474
3-chloro-2-fluoro-N-(6-oxopiperidin-3-yl)benzenesulfonamide
CID 62492333
2-methyl-4-nitro-N-(6-oxopiperidin-3-yl)benzenesulfonamide
CID 63663528
4-amino-2,6-dimethyl-N-(6-oxopiperidin-3-yl)benzenesulfonamide
CID 79589547
2-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-5-methylbenzenesulfonamide
CID 104953272
N-(6-oxopiperidin-3-yl)naphthalene-1-sulfonamide
CID 115684185
2-(aminomethyl)-N-(6-oxopiperidin-3-yl)benzenesulfonamide
CID 63661206
2-fluoro-4-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 124625901

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-N-(6-oxopiperidin-3-yl)benzenesulfonamide?
The IUPAC name of 2-fluoro-5-methyl-N-(6-oxopiperidin-3-yl)benzenesulfonamide (CID 62492163) is 2-fluoro-5-methyl-N-(6-oxopiperidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-5-methyl-N-(6-oxopiperidin-3-yl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-5-methyl-N-(6-oxopiperidin-3-yl)benzenesulfonamide is Cc1ccc(F)c(S(=O)(=O)NC2CCC(=O)NC2)c1.
What is the InChIKey of 2-fluoro-5-methyl-N-(6-oxopiperidin-3-yl)benzenesulfonamide?
The InChIKey is OVAZXOMLXDLECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O3S/c1-8-2-4-10(13)11(6-8)19(17,18)15-9-3-5-12(16)14-7-9/h2,4,6,9,15H,3,5,7H2,1H3,(H,14,16).
What are the key properties of 2-fluoro-5-methyl-N-(6-oxopiperidin-3-yl)benzenesulfonamide?
2-fluoro-5-methyl-N-(6-oxopiperidin-3-yl)benzenesulfonamide has a molecular weight of 286.33 g/mol, XLogP of 0.69, 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-(6-oxopiperidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 62492163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).