2-fluoro-N-[(2S)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide

C24H26FN3O3S — CID 31444972

IUPAC2-fluoro-N-[(2S)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C24H26FN3O3S/c1-18(26-32(30,31)23-12-5-4-11-22(23)25)24(29)28-15-13-27(14-16-28)17-20-9-6-8-19-7-2-3-10-21(19)20/h2-12,18,26H,13-17H2,1H3/t18-/m0/s1
InChIKeyISXHNPKQKOAZBX-SFHVURJKSA-N
MW455.56 g/mol
LogP2.99
Rot. Bonds6

About 2-fluoro-N-[(2S)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide

2-fluoro-N-[(2S)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide (PubChem CID 31444972) has the molecular formula C24H26FN3O3S and a molecular weight of 455.56 g/mol. Its IUPAC name is 2-fluoro-N-[(2S)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[(2S)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide
PubChem CID31444972
Molecular FormulaC24H26FN3O3S
Molecular Weight455.56 g/mol
Exact Mass455.17
IUPAC Name2-fluoro-N-[(2S)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C24H26FN3O3S/c1-18(26-32(30,31)23-12-5-4-11-22(23)25)24(29)28-15-13-27(14-16-28)17-20-9-6-8-19-7-2-3-10-21(19)20/h2-12,18,26H,13-17H2,1H3/t18-/m0/s1
InChIKeyISXHNPKQKOAZBX-SFHVURJKSA-N
XLogP2.99
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 118234449
CID 118234449
CID 16242636
CID 16242636
CID 10048854
CID 10048854
CID 11754250
CID 11754250
CID 45724855
CID 45724855
CID 118899149
CID 118899149
CID 118899158
CID 118899158
CID 121373668
CID 121373668
CID 3149455
CID 3149455
CID 3192979
CID 3192979
CID 4713322
CID 4713322
CID 4788430
CID 4788430

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(2S)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[(2S)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide (CID 31444972) is 2-fluoro-N-[(2S)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[(2S)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[(2S)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide is C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCN(Cc2cccc3ccccc23)CC1.
What is the InChIKey of 2-fluoro-N-[(2S)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide?
The InChIKey is ISXHNPKQKOAZBX-SFHVURJKSA-N. The full InChI is InChI=1S/C24H26FN3O3S/c1-18(26-32(30,31)23-12-5-4-11-22(23)25)24(29)28-15-13-27(14-16-28)17-20-9-6-8-19-7-2-3-10-21(19)20/h2-12,18,26H,13-17H2,1H3/t18-/m0/s1.
What are the key properties of 2-fluoro-N-[(2S)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide?
2-fluoro-N-[(2S)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide has a molecular weight of 455.56 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(2S)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 31444972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).