N-[3-[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]piperidin-1-yl]phenyl]-4-fluorobenzenesulfonamide

C26H28FN3O2S — CID 42276702

IUPACN-[3-[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]piperidin-1-yl]phenyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cccc(N2CCC(N[C@H]3CCc4ccccc43)CC2)c1)c1ccc(F)cc1
InChIInChI=1S/C26H28FN3O2S/c27-20-9-11-24(12-10-20)33(31,32)29-22-5-3-6-23(18-22)30-16-14-21(15-17-30)28-26-13-8-19-4-1-2-7-25(19)26/h1-7,9-12,18,21,26,28-29H,8,13-17H2/t26-/m0/s1
InChIKeyAEZGUINLRULHBD-SANMLTNESA-N
MW465.59 g/mol
LogP4.87
Rot. Bonds6

About N-[3-[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]piperidin-1-yl]phenyl]-4-fluorobenzenesulfonamide

N-[3-[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]piperidin-1-yl]phenyl]-4-fluorobenzenesulfonamide (PubChem CID 42276702) has the molecular formula C26H28FN3O2S and a molecular weight of 465.59 g/mol. Its IUPAC name is N-[3-[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]piperidin-1-yl]phenyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]piperidin-1-yl]phenyl]-4-fluorobenzenesulfonamide
PubChem CID42276702
Molecular FormulaC26H28FN3O2S
Molecular Weight465.59 g/mol
Exact Mass465.19
IUPAC NameN-[3-[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]piperidin-1-yl]phenyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cccc(N2CCC(N[C@H]3CCc4ccccc43)CC2)c1)c1ccc(F)cc1
InChIInChI=1S/C26H28FN3O2S/c27-20-9-11-24(12-10-20)33(31,32)29-22-5-3-6-23(18-22)30-16-14-21(15-17-30)28-26-13-8-19-4-1-2-7-25(19)26/h1-7,9-12,18,21,26,28-29H,8,13-17H2/t26-/m0/s1
InChIKeyAEZGUINLRULHBD-SANMLTNESA-N
XLogP4.87
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.59
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_H(6)', 'substructure': 'N/A'}

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Related Compounds

N-[3-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]piperidin-1-yl]phenyl]-4-fluorobenzenesulfonamide
CID 42276700
4-fluoro-N-[3-[4-(oxolan-3-ylamino)piperidin-1-yl]phenyl]benzenesulfonamide
CID 45247645
N-(3-piperazin-1-ylphenyl)benzenesulfonamide
CID 11849196
4-fluoro-N-[1-[1-(4-fluorophenyl)piperidin-4-yl]-2,3-dihydroindol-6-yl]benzenesulfonamide
CID 18427426
N-(3-pyrrolidin-1-ylphenyl)-9H-fluorene-2-sulfonamide
CID 1314014
(4R)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)azepan-4-amine
CID 124811638
2-[(4-fluorophenyl)sulfonylamino]-N-(3-pyrrolidin-1-ylphenyl)benzamide
CID 55815022
4-(cyclopropanecarbonyl)-N-(3-piperidin-1-ylphenyl)benzenesulfonamide
CID 110426248
N-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]benzenesulfonamide
CID 110362881
4-fluoro-N-[3-[3-[(4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzenesulfonamide
CID 46070914
N-cyclooctyl-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 116530769
N-(2,3-dihydro-1H-inden-1-yl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 655689

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]piperidin-1-yl]phenyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[3-[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]piperidin-1-yl]phenyl]-4-fluorobenzenesulfonamide (CID 42276702) is N-[3-[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]piperidin-1-yl]phenyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[3-[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]piperidin-1-yl]phenyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[3-[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]piperidin-1-yl]phenyl]-4-fluorobenzenesulfonamide is O=S(=O)(Nc1cccc(N2CCC(N[C@H]3CCc4ccccc43)CC2)c1)c1ccc(F)cc1.
What is the InChIKey of N-[3-[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]piperidin-1-yl]phenyl]-4-fluorobenzenesulfonamide?
The InChIKey is AEZGUINLRULHBD-SANMLTNESA-N. The full InChI is InChI=1S/C26H28FN3O2S/c27-20-9-11-24(12-10-20)33(31,32)29-22-5-3-6-23(18-22)30-16-14-21(15-17-30)28-26-13-8-19-4-1-2-7-25(19)26/h1-7,9-12,18,21,26,28-29H,8,13-17H2/t26-/m0/s1.
What are the key properties of N-[3-[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]piperidin-1-yl]phenyl]-4-fluorobenzenesulfonamide?
N-[3-[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]piperidin-1-yl]phenyl]-4-fluorobenzenesulfonamide has a molecular weight of 465.59 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]piperidin-1-yl]phenyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 42276702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).