2-(7-azaspiro[3.5]nonan-2-yl)-4-(trifluoromethoxy)benzenesulfonamide

C15H19F3N2O3S — CID 175913166

IUPAC2-(7-azaspiro[3.5]nonan-2-yl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OC(F)(F)F)cc1C1CC2(CCNCC2)C1
InChIInChI=1S/C15H19F3N2O3S/c16-15(17,18)23-11-1-2-13(24(19,21)22)12(7-11)10-8-14(9-10)3-5-20-6-4-14/h1-2,7,10,20H,3-6,8-9H2,(H2,19,21,22)
InChIKeyTVNSDVMSCFHNIA-UHFFFAOYSA-N
MW364.39 g/mol
LogP2.48
Rot. Bonds3

About 2-(7-azaspiro[3.5]nonan-2-yl)-4-(trifluoromethoxy)benzenesulfonamide

2-(7-azaspiro[3.5]nonan-2-yl)-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 175913166) has the molecular formula C15H19F3N2O3S and a molecular weight of 364.39 g/mol. Its IUPAC name is 2-(7-azaspiro[3.5]nonan-2-yl)-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound Name2-(7-azaspiro[3.5]nonan-2-yl)-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID175913166
Molecular FormulaC15H19F3N2O3S
Molecular Weight364.39 g/mol
Exact Mass364.11
IUPAC Name2-(7-azaspiro[3.5]nonan-2-yl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OC(F)(F)F)cc1C1CC2(CCNCC2)C1
InChIInChI=1S/C15H19F3N2O3S/c16-15(17,18)23-11-1-2-13(24(19,21)22)12(7-11)10-8-14(9-10)3-5-20-6-4-14/h1-2,7,10,20H,3-6,8-9H2,(H2,19,21,22)
InChIKeyTVNSDVMSCFHNIA-UHFFFAOYSA-N
XLogP2.48
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.39
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(7-azaspiro[3.5]nonan-2-yl)-4-(trifluoromethoxy)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-piperidin-4-yl-4-(trifluoromethoxy)benzaldehyde
CID 175242598
2-[4-(aminomethyl)piperidin-1-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 18678680
4-[2-fluoro-4-(trifluoromethoxy)phenyl]piperidine;hydrochloride
CID 169452686
2-chloro-4-[3-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 134626076
6-[3-(trifluoromethoxy)phenyl]-2-azaspiro[3.4]octane;hydrochloride
CID 163218641
3-hydroxy-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one
CID 141316101
(6R)-6-[3-(trifluoromethoxy)phenyl]-2-azaspiro[3.4]octane;hydrochloride
CID 175919303
ethyl 4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxylate;hydrochloride
CID 46938824
[3-[(3-carbamoyl-8-azaspiro[4.5]decan-3-yl)sulfonyl]phenyl] 4-(trifluoromethoxy)benzoate
CID 123158468
3-[2-chloro-4-(trifluoromethoxy)phenyl]azetidine
CID 139510289
4-phenyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-sulfonamide
CID 170764846
2-[4-methoxy-3-(trifluoromethyl)phenyl]-7-azaspiro[3.5]nonane
CID 175706581

Frequently Asked Questions

What is the IUPAC name of 2-(7-azaspiro[3.5]nonan-2-yl)-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of 2-(7-azaspiro[3.5]nonan-2-yl)-4-(trifluoromethoxy)benzenesulfonamide (CID 175913166) is 2-(7-azaspiro[3.5]nonan-2-yl)-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for 2-(7-azaspiro[3.5]nonan-2-yl)-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for 2-(7-azaspiro[3.5]nonan-2-yl)-4-(trifluoromethoxy)benzenesulfonamide is NS(=O)(=O)c1ccc(OC(F)(F)F)cc1C1CC2(CCNCC2)C1.
What is the InChIKey of 2-(7-azaspiro[3.5]nonan-2-yl)-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is TVNSDVMSCFHNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O3S/c16-15(17,18)23-11-1-2-13(24(19,21)22)12(7-11)10-8-14(9-10)3-5-20-6-4-14/h1-2,7,10,20H,3-6,8-9H2,(H2,19,21,22).
What are the key properties of 2-(7-azaspiro[3.5]nonan-2-yl)-4-(trifluoromethoxy)benzenesulfonamide?
2-(7-azaspiro[3.5]nonan-2-yl)-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 364.39 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-azaspiro[3.5]nonan-2-yl)-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 175913166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).