4-fluoro-N-[6-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzenesulfonamide

C25H29FN4O2S — CID 46054096

IUPAC4-fluoro-N-[6-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzenesulfonamide
SMILESCC(C)c1ccc(CN2CCN(c3ccc(NS(=O)(=O)c4ccc(F)cc4)cn3)CC2)cc1
InChIInChI=1S/C25H29FN4O2S/c1-19(2)21-5-3-20(4-6-21)18-29-13-15-30(16-14-29)25-12-9-23(17-27-25)28-33(31,32)24-10-7-22(26)8-11-24/h3-12,17,19,28H,13-16,18H2,1-2H3
InChIKeyMYWZFVNXTDUPPU-UHFFFAOYSA-N
MW468.60 g/mol
LogP4.47
Rot. Bonds7

About 4-fluoro-N-[6-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzenesulfonamide

4-fluoro-N-[6-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzenesulfonamide (PubChem CID 46054096) has the molecular formula C25H29FN4O2S and a molecular weight of 468.60 g/mol. Its IUPAC name is 4-fluoro-N-[6-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[6-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzenesulfonamide
PubChem CID46054096
Molecular FormulaC25H29FN4O2S
Molecular Weight468.60 g/mol
Exact Mass468.20
IUPAC Name4-fluoro-N-[6-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzenesulfonamide
SMILESCC(C)c1ccc(CN2CCN(c3ccc(NS(=O)(=O)c4ccc(F)cc4)cn3)CC2)cc1
InChIInChI=1S/C25H29FN4O2S/c1-19(2)21-5-3-20(4-6-21)18-29-13-15-30(16-14-29)25-12-9-23(17-27-25)28-33(31,32)24-10-7-22(26)8-11-24/h3-12,17,19,28H,13-16,18H2,1-2H3
InChIKeyMYWZFVNXTDUPPU-UHFFFAOYSA-N
XLogP4.47
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.60
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-N-[6-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzenesulfonamide with MolForge

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Related Compounds

N-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 42850219
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-4-propan-2-ylbenzenesulfonamide
CID 22202043
4-fluoro-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide
CID 113011178
4-ethyl-N-[6-(4-propylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide;hydrochloride
CID 69172168
N-[6-[(3S)-3-methyl-4-prop-2-enylpiperazin-1-yl]-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 69146506
4-fluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzenesulfonamide
CID 113017865
N-[6-[(3S)-3-ethyl-4-propylpiperazin-1-yl]-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide;hydrochloride
CID 141290503
4-propan-2-yl-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide
CID 25499352
4-ethyl-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide
CID 113011184
1-[5-[(4-propan-2-ylphenyl)sulfonylamino]-2-pyridinyl]piperidine-3-carboxamide
CID 86967490
3-chloro-N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide
CID 113011100
N-(3,4-difluorophenyl)-6-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyridine-3-sulfonamide
CID 133452352

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[6-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[6-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzenesulfonamide (CID 46054096) is 4-fluoro-N-[6-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[6-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[6-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzenesulfonamide is CC(C)c1ccc(CN2CCN(c3ccc(NS(=O)(=O)c4ccc(F)cc4)cn3)CC2)cc1.
What is the InChIKey of 4-fluoro-N-[6-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzenesulfonamide?
The InChIKey is MYWZFVNXTDUPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O2S/c1-19(2)21-5-3-20(4-6-21)18-29-13-15-30(16-14-29)25-12-9-23(17-27-25)28-33(31,32)24-10-7-22(26)8-11-24/h3-12,17,19,28H,13-16,18H2,1-2H3.
What are the key properties of 4-fluoro-N-[6-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzenesulfonamide?
4-fluoro-N-[6-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzenesulfonamide has a molecular weight of 468.60 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[6-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 46054096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).