4-[(4-fluorophenyl)sulfonylamino]-N-heptan-2-ylbenzamide

C20H25FN2O3S — CID 43019430

IUPAC4-[(4-fluorophenyl)sulfonylamino]-N-heptan-2-ylbenzamide
SMILESCCCCCC(C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H25FN2O3S/c1-3-4-5-6-15(2)22-20(24)16-7-11-18(12-8-16)23-27(25,26)19-13-9-17(21)10-14-19/h7-15,23H,3-6H2,1-2H3,(H,22,24)
InChIKeyZCYWOOZYHTZZGN-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.33
Rot. Bonds9

About 4-[(4-fluorophenyl)sulfonylamino]-N-heptan-2-ylbenzamide

4-[(4-fluorophenyl)sulfonylamino]-N-heptan-2-ylbenzamide (PubChem CID 43019430) has the molecular formula C20H25FN2O3S and a molecular weight of 392.50 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)sulfonylamino]-N-heptan-2-ylbenzamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)sulfonylamino]-N-heptan-2-ylbenzamide
PubChem CID43019430
Molecular FormulaC20H25FN2O3S
Molecular Weight392.50 g/mol
Exact Mass392.16
IUPAC Name4-[(4-fluorophenyl)sulfonylamino]-N-heptan-2-ylbenzamide
SMILESCCCCCC(C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H25FN2O3S/c1-3-4-5-6-15(2)22-20(24)16-7-11-18(12-8-16)23-27(25,26)19-13-9-17(21)10-14-19/h7-15,23H,3-6H2,1-2H3,(H,22,24)
InChIKeyZCYWOOZYHTZZGN-UHFFFAOYSA-N
XLogP4.33
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-hexan-2-ylbenzamide
CID 62199480
4-[(4-ethoxyphenyl)sulfonylamino]-N-pentan-2-ylbenzamide
CID 43018756
4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-pentan-2-ylbenzamide
CID 46538107
4-[(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 9315282
4-[(4-fluorophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 9315283
N-(6-methylheptan-2-yl)-4-(pyridin-4-ylsulfamoyl)benzamide
CID 46546290
N-(3-butoxypropyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 27683058
N-octan-2-yl-4-(propylamino)benzamide
CID 63500795
N-(4-butanoylphenyl)-4-fluorobenzenesulfonamide
CID 5016299
N-butan-2-yl-4-[[4-(dimethylamino)phenyl]sulfamoyl]benzamide
CID 109059086
ethyl N-[[4-[(4-fluorophenyl)sulfamoyl]benzoyl]amino]carbamate
CID 25494260
4-[(4-fluorophenyl)sulfonylamino]-N-[(2R)-2-phenylpropyl]benzamide
CID 9164346

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)sulfonylamino]-N-heptan-2-ylbenzamide?
The IUPAC name of 4-[(4-fluorophenyl)sulfonylamino]-N-heptan-2-ylbenzamide (CID 43019430) is 4-[(4-fluorophenyl)sulfonylamino]-N-heptan-2-ylbenzamide.
What is the SMILES notation for 4-[(4-fluorophenyl)sulfonylamino]-N-heptan-2-ylbenzamide?
The canonical SMILES for 4-[(4-fluorophenyl)sulfonylamino]-N-heptan-2-ylbenzamide is CCCCCC(C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)sulfonylamino]-N-heptan-2-ylbenzamide?
The InChIKey is ZCYWOOZYHTZZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O3S/c1-3-4-5-6-15(2)22-20(24)16-7-11-18(12-8-16)23-27(25,26)19-13-9-17(21)10-14-19/h7-15,23H,3-6H2,1-2H3,(H,22,24).
What are the key properties of 4-[(4-fluorophenyl)sulfonylamino]-N-heptan-2-ylbenzamide?
4-[(4-fluorophenyl)sulfonylamino]-N-heptan-2-ylbenzamide has a molecular weight of 392.50 g/mol, XLogP of 4.33, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)sulfonylamino]-N-heptan-2-ylbenzamide is sourced from PubChem (CID 43019430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).