2,5-difluoro-N-(piperidin-2-ylmethyl)benzenesulfonamide

C12H16F2N2O2S — CID 43344425

IUPAC2,5-difluoro-N-(piperidin-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1CCCCN1)c1cc(F)ccc1F
InChIInChI=1S/C12H16F2N2O2S/c13-9-4-5-11(14)12(7-9)19(17,18)16-8-10-3-1-2-6-15-10/h4-5,7,10,15-16H,1-3,6,8H2
InChIKeyJVYSNRMXQBRXTC-UHFFFAOYSA-N
MW290.33 g/mol
LogP1.39
Rot. Bonds4

About 2,5-difluoro-N-(piperidin-2-ylmethyl)benzenesulfonamide

2,5-difluoro-N-(piperidin-2-ylmethyl)benzenesulfonamide (PubChem CID 43344425) has the molecular formula C12H16F2N2O2S and a molecular weight of 290.33 g/mol. Its IUPAC name is 2,5-difluoro-N-(piperidin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-(piperidin-2-ylmethyl)benzenesulfonamide
PubChem CID43344425
Molecular FormulaC12H16F2N2O2S
Molecular Weight290.33 g/mol
Exact Mass290.09
IUPAC Name2,5-difluoro-N-(piperidin-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1CCCCN1)c1cc(F)ccc1F
InChIInChI=1S/C12H16F2N2O2S/c13-9-4-5-11(14)12(7-9)19(17,18)16-8-10-3-1-2-6-15-10/h4-5,7,10,15-16H,1-3,6,8H2
InChIKeyJVYSNRMXQBRXTC-UHFFFAOYSA-N
XLogP1.39
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,5-difluoro-N-(piperidin-2-ylmethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-5-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]benzenesulfonamide
CID 94479302
2,5-difluoro-N-(morpholin-3-ylmethyl)benzenesulfonamide
CID 103548886
2-fluoro-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119974473
2-chloro-4-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974387
2-fluoro-5-nitro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 62540772
5-bromo-2,4-difluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 119974330
2,3-difluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 119974119
2,4-difluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
CID 104972390
3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974220
2,5-dimethyl-N-(piperidin-2-ylmethyl)furan-3-sulfonamide
CID 86784602
4-chloro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 55084488
5-fluoro-2-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride
CID 120723547

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-(piperidin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-(piperidin-2-ylmethyl)benzenesulfonamide (CID 43344425) is 2,5-difluoro-N-(piperidin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-(piperidin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-(piperidin-2-ylmethyl)benzenesulfonamide is O=S(=O)(NCC1CCCCN1)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-(piperidin-2-ylmethyl)benzenesulfonamide?
The InChIKey is JVYSNRMXQBRXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2S/c13-9-4-5-11(14)12(7-9)19(17,18)16-8-10-3-1-2-6-15-10/h4-5,7,10,15-16H,1-3,6,8H2.
What are the key properties of 2,5-difluoro-N-(piperidin-2-ylmethyl)benzenesulfonamide?
2,5-difluoro-N-(piperidin-2-ylmethyl)benzenesulfonamide has a molecular weight of 290.33 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-(piperidin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 43344425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).