5-[(2-fluorophenyl)sulfonylamino]-N,N-bis(2-methylpropyl)-2-piperazin-1-ylbenzamide

C25H35FN4O3S — CID 46379655

IUPAC5-[(2-fluorophenyl)sulfonylamino]-N,N-bis(2-methylpropyl)-2-piperazin-1-ylbenzamide
SMILESCC(C)CN(CC(C)C)C(=O)c1cc(NS(=O)(=O)c2ccccc2F)ccc1N1CCNCC1
InChIInChI=1S/C25H35FN4O3S/c1-18(2)16-30(17-19(3)4)25(31)21-15-20(9-10-23(21)29-13-11-27-12-14-29)28-34(32,33)24-8-6-5-7-22(24)26/h5-10,15,18-19,27-28H,11-14,16-17H2,1-4H3
InChIKeyJRGNOFYMAGZRHZ-UHFFFAOYSA-N
MW490.65 g/mol
LogP3.79
Rot. Bonds9

About 5-[(2-fluorophenyl)sulfonylamino]-N,N-bis(2-methylpropyl)-2-piperazin-1-ylbenzamide

5-[(2-fluorophenyl)sulfonylamino]-N,N-bis(2-methylpropyl)-2-piperazin-1-ylbenzamide (PubChem CID 46379655) has the molecular formula C25H35FN4O3S and a molecular weight of 490.65 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)sulfonylamino]-N,N-bis(2-methylpropyl)-2-piperazin-1-ylbenzamide.

Molecular Properties

Compound Name5-[(2-fluorophenyl)sulfonylamino]-N,N-bis(2-methylpropyl)-2-piperazin-1-ylbenzamide
PubChem CID46379655
Molecular FormulaC25H35FN4O3S
Molecular Weight490.65 g/mol
Exact Mass490.24
IUPAC Name5-[(2-fluorophenyl)sulfonylamino]-N,N-bis(2-methylpropyl)-2-piperazin-1-ylbenzamide
SMILESCC(C)CN(CC(C)C)C(=O)c1cc(NS(=O)(=O)c2ccccc2F)ccc1N1CCNCC1
InChIInChI=1S/C25H35FN4O3S/c1-18(2)16-30(17-19(3)4)25(31)21-15-20(9-10-23(21)29-13-11-27-12-14-29)28-34(32,33)24-8-6-5-7-22(24)26/h5-10,15,18-19,27-28H,11-14,16-17H2,1-4H3
InChIKeyJRGNOFYMAGZRHZ-UHFFFAOYSA-N
XLogP3.79
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.65
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-[(4-methylphenyl)sulfonylamino]-N,N-bis(2-methylpropyl)-2-piperazin-1-ylbenzamide
CID 46379578
N,N-dimethyl-2-piperazin-1-yl-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide
CID 50822497
N-butyl-N-ethyl-2-piperazin-1-yl-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide
CID 20972197
N-[(2S)-butan-2-yl]-3-[(2-fluorophenyl)sulfonylamino]-4-piperazin-1-ylbenzamide
CID 92872284
5-[(4-fluorophenyl)sulfonylamino]-2-piperazin-1-yl-N-propan-2-ylbenzamide
CID 20972171
3-[(2-fluorophenyl)sulfonylamino]-N-(2-methoxyethyl)-4-piperazin-1-ylbenzamide
CID 46333677
2-[4-(2-fluorophenyl)piperazin-1-yl]-5-[(2-methylphenyl)sulfonylamino]benzoic acid
CID 50766347
N-[(2R)-butan-2-yl]-2-piperazin-1-yl-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide
CID 92880535
5-(benzenesulfonamido)-N-benzyl-2-piperazin-1-ylbenzamide
CID 50822911
N-[(2R)-butan-2-yl]-5-[(2,5-dimethylphenyl)sulfonylamino]-2-piperazin-1-ylbenzamide
CID 92895458
3-[(4-methylphenyl)sulfonylamino]-N,N-bis(2-methylpropyl)-4-piperazin-1-ylbenzamide
CID 46333292
2-fluoro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 42448394

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)sulfonylamino]-N,N-bis(2-methylpropyl)-2-piperazin-1-ylbenzamide?
The IUPAC name of 5-[(2-fluorophenyl)sulfonylamino]-N,N-bis(2-methylpropyl)-2-piperazin-1-ylbenzamide (CID 46379655) is 5-[(2-fluorophenyl)sulfonylamino]-N,N-bis(2-methylpropyl)-2-piperazin-1-ylbenzamide.
What is the SMILES notation for 5-[(2-fluorophenyl)sulfonylamino]-N,N-bis(2-methylpropyl)-2-piperazin-1-ylbenzamide?
The canonical SMILES for 5-[(2-fluorophenyl)sulfonylamino]-N,N-bis(2-methylpropyl)-2-piperazin-1-ylbenzamide is CC(C)CN(CC(C)C)C(=O)c1cc(NS(=O)(=O)c2ccccc2F)ccc1N1CCNCC1.
What is the InChIKey of 5-[(2-fluorophenyl)sulfonylamino]-N,N-bis(2-methylpropyl)-2-piperazin-1-ylbenzamide?
The InChIKey is JRGNOFYMAGZRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35FN4O3S/c1-18(2)16-30(17-19(3)4)25(31)21-15-20(9-10-23(21)29-13-11-27-12-14-29)28-34(32,33)24-8-6-5-7-22(24)26/h5-10,15,18-19,27-28H,11-14,16-17H2,1-4H3.
What are the key properties of 5-[(2-fluorophenyl)sulfonylamino]-N,N-bis(2-methylpropyl)-2-piperazin-1-ylbenzamide?
5-[(2-fluorophenyl)sulfonylamino]-N,N-bis(2-methylpropyl)-2-piperazin-1-ylbenzamide has a molecular weight of 490.65 g/mol, XLogP of 3.79, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)sulfonylamino]-N,N-bis(2-methylpropyl)-2-piperazin-1-ylbenzamide is sourced from PubChem (CID 46379655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).