N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide

C17H19FN2O4S2 — CID 134034160

IUPACN-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C17H19FN2O4S2/c18-14-4-6-15(7-5-14)19-25(21,22)16-8-10-17(11-9-16)26(23,24)20-12-2-1-3-13-20/h4-11,19H,1-3,12-13H2
InChIKeyYAOFWWCPQFPLDC-UHFFFAOYSA-N
MW398.48 g/mol
LogP2.80
Rot. Bonds5

About N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide

N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide (PubChem CID 134034160) has the molecular formula C17H19FN2O4S2 and a molecular weight of 398.48 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide
PubChem CID134034160
Molecular FormulaC17H19FN2O4S2
Molecular Weight398.48 g/mol
Exact Mass398.08
IUPAC NameN-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C17H19FN2O4S2/c18-14-4-6-15(7-5-14)19-25(21,22)16-8-10-17(11-9-16)26(23,24)20-12-2-1-3-13-20/h4-11,19H,1-3,12-13H2
InChIKeyYAOFWWCPQFPLDC-UHFFFAOYSA-N
XLogP2.80
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide 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

N-[4-(azepan-1-ylsulfonyl)phenyl]-4-chlorobenzenesulfonamide
CID 19684562
4-bromo-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 1274641
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-tert-butylbenzenesulfonamide
CID 19684568
4-fluoro-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]benzenesulfonamide
CID 7343180
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-propan-2-ylbenzenesulfonamide
CID 19684566
N-[4-(azepan-1-ylsulfonyl)phenyl]-3-chloro-2-fluorobenzenesulfonamide
CID 60532477
2-[(4-fluorophenyl)sulfonylamino]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 2337095
N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 2704882
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-butan-2-ylbenzenesulfonamide
CID 19684570
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-ethoxybenzenesulfonamide
CID 21372462
N'-(4-fluorophenyl)sulfonyl-4-piperidin-1-ylsulfonylbenzohydrazide
CID 1140003
N-(2-fluorophenyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide
CID 55559756

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide?
The IUPAC name of N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide (CID 134034160) is N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide?
The canonical SMILES for N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide is O=S(=O)(Nc1ccc(F)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide?
The InChIKey is YAOFWWCPQFPLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O4S2/c18-14-4-6-15(7-5-14)19-25(21,22)16-8-10-17(11-9-16)26(23,24)20-12-2-1-3-13-20/h4-11,19H,1-3,12-13H2.
What are the key properties of N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide?
N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide has a molecular weight of 398.48 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide is sourced from PubChem (CID 134034160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).