N-[(3R)-7-[(4-fluorophenyl)methyl]-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide

C21H25FN2O2S — CID 97374891

IUPACN-[(3R)-7-[(4-fluorophenyl)methyl]-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide
SMILESO=S(=O)(N[C@@H]1CCC12CCN(Cc1ccc(F)cc1)CC2)c1ccccc1
InChIInChI=1S/C21H25FN2O2S/c22-18-8-6-17(7-9-18)16-24-14-12-21(13-15-24)11-10-20(21)23-27(25,26)19-4-2-1-3-5-19/h1-9,20,23H,10-16H2/t20-/m1/s1
InChIKeyAAHDCUJLLFJGGC-HXUWFJFHSA-N
MW388.51 g/mol
LogP3.55
Rot. Bonds5

About N-[(3R)-7-[(4-fluorophenyl)methyl]-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide

N-[(3R)-7-[(4-fluorophenyl)methyl]-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide (PubChem CID 97374891) has the molecular formula C21H25FN2O2S and a molecular weight of 388.51 g/mol. Its IUPAC name is N-[(3R)-7-[(4-fluorophenyl)methyl]-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(3R)-7-[(4-fluorophenyl)methyl]-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide
PubChem CID97374891
Molecular FormulaC21H25FN2O2S
Molecular Weight388.51 g/mol
Exact Mass388.16
IUPAC NameN-[(3R)-7-[(4-fluorophenyl)methyl]-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide
SMILESO=S(=O)(N[C@@H]1CCC12CCN(Cc1ccc(F)cc1)CC2)c1ccccc1
InChIInChI=1S/C21H25FN2O2S/c22-18-8-6-17(7-9-18)16-24-14-12-21(13-15-24)11-10-20(21)23-27(25,26)19-4-2-1-3-5-19/h1-9,20,23H,10-16H2/t20-/m1/s1
InChIKeyAAHDCUJLLFJGGC-HXUWFJFHSA-N
XLogP3.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-7-(pyridin-4-ylmethyl)-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide
CID 97374899
N-[7-(pyridin-4-ylmethyl)-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide;bis(2,2,2-trifluoroacetic acid)
CID 155848564
N-[(3R)-7-[(1-methylpyrazol-4-yl)methyl]-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide
CID 97374880
N-(7-benzyl-7-azaspiro[3.5]nonan-2-yl)benzenesulfonamide
CID 155880238
N-[(3S)-7-(5-methylfuran-2-carbonyl)-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide
CID 97374923
N-[(3R,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-4-fluorobenzenesulfonamide
CID 98853722
N-(1-benzylpyrrolidin-3-yl)benzenesulfonamide
CID 51169833
N-benzyl-6-[(4-fluorophenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 126462563
1-(benzenesulfonyl)-4-[(4-fluorophenyl)methyl]piperazine;oxalic acid
CID 171154759
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methylpiperidine-1-sulfonamide
CID 51121961
4,4-difluoro-1-[(4-fluorophenyl)methyl]piperidine
CID 58243431
1-benzyl-4-(4-fluorophenyl)sulfonylpiperazine
CID 563073

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-7-[(4-fluorophenyl)methyl]-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide?
The IUPAC name of N-[(3R)-7-[(4-fluorophenyl)methyl]-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide (CID 97374891) is N-[(3R)-7-[(4-fluorophenyl)methyl]-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[(3R)-7-[(4-fluorophenyl)methyl]-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide?
The canonical SMILES for N-[(3R)-7-[(4-fluorophenyl)methyl]-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide is O=S(=O)(N[C@@H]1CCC12CCN(Cc1ccc(F)cc1)CC2)c1ccccc1.
What is the InChIKey of N-[(3R)-7-[(4-fluorophenyl)methyl]-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide?
The InChIKey is AAHDCUJLLFJGGC-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H25FN2O2S/c22-18-8-6-17(7-9-18)16-24-14-12-21(13-15-24)11-10-20(21)23-27(25,26)19-4-2-1-3-5-19/h1-9,20,23H,10-16H2/t20-/m1/s1.
What are the key properties of N-[(3R)-7-[(4-fluorophenyl)methyl]-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide?
N-[(3R)-7-[(4-fluorophenyl)methyl]-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide has a molecular weight of 388.51 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-7-[(4-fluorophenyl)methyl]-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide is sourced from PubChem (CID 97374891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).