N-[4-[(4-fluorophenyl)sulfonylamino]cyclohexyl]propanamide

C15H21FN2O3S — CID 44588347

IUPACN-[4-[(4-fluorophenyl)sulfonylamino]cyclohexyl]propanamide
SMILESCCC(=O)NC1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C15H21FN2O3S/c1-2-15(19)17-12-5-7-13(8-6-12)18-22(20,21)14-9-3-11(16)4-10-14/h3-4,9-10,12-13,18H,2,5-8H2,1H3,(H,17,19)
InChIKeyFXBSXRLWDPFQAV-UHFFFAOYSA-N
MW328.41 g/mol
LogP1.94
Rot. Bonds5

About N-[4-[(4-fluorophenyl)sulfonylamino]cyclohexyl]propanamide

N-[4-[(4-fluorophenyl)sulfonylamino]cyclohexyl]propanamide (PubChem CID 44588347) has the molecular formula C15H21FN2O3S and a molecular weight of 328.41 g/mol. Its IUPAC name is N-[4-[(4-fluorophenyl)sulfonylamino]cyclohexyl]propanamide.

Molecular Properties

Compound NameN-[4-[(4-fluorophenyl)sulfonylamino]cyclohexyl]propanamide
PubChem CID44588347
Molecular FormulaC15H21FN2O3S
Molecular Weight328.41 g/mol
Exact Mass328.13
IUPAC NameN-[4-[(4-fluorophenyl)sulfonylamino]cyclohexyl]propanamide
SMILESCCC(=O)NC1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C15H21FN2O3S/c1-2-15(19)17-12-5-7-13(8-6-12)18-22(20,21)14-9-3-11(16)4-10-14/h3-4,9-10,12-13,18H,2,5-8H2,1H3,(H,17,19)
InChIKeyFXBSXRLWDPFQAV-UHFFFAOYSA-N
XLogP1.94
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[4-(propylamino)cyclohexyl]benzenesulfonamide
CID 43653616
ethyl 4-[(4-fluorophenyl)sulfonylamino]piperidine-1-carboxylate
CID 26945531
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-(4-fluorophenyl)acetamide
CID 47058155
4-(cyclopropylsulfamoyl)-N-[(4-fluorophenyl)methyl]benzamide
CID 17496581
N-cyclopropyl-2-[[2-(cyclopropylamino)-2-oxoethyl]-(4-fluorophenyl)sulfonylamino]acetamide
CID 18133694
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-(4-fluorophenyl)sulfonylpropanamide
CID 55959373
N-cyclohexyl-2-[(2R,5S,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetamide
CID 54645399
N-cyclohexyl-2-[(2R,5S,6R)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetamide
CID 54645394
N-(3-ethylcyclohexyl)-4-fluorobenzenesulfonamide
CID 64749989
1-N-cyclopropyl-4-N,4-N-bis[(4-fluorophenyl)methyl]benzene-1,4-disulfonamide
CID 1176403
3-[4-(cyclopentylsulfamoyl)phenyl]-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide
CID 110353893
ethane;N-[4-(propanoylamino)cyclohexyl]propanamide
CID 144871719

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-fluorophenyl)sulfonylamino]cyclohexyl]propanamide?
The IUPAC name of N-[4-[(4-fluorophenyl)sulfonylamino]cyclohexyl]propanamide (CID 44588347) is N-[4-[(4-fluorophenyl)sulfonylamino]cyclohexyl]propanamide.
What is the SMILES notation for N-[4-[(4-fluorophenyl)sulfonylamino]cyclohexyl]propanamide?
The canonical SMILES for N-[4-[(4-fluorophenyl)sulfonylamino]cyclohexyl]propanamide is CCC(=O)NC1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of N-[4-[(4-fluorophenyl)sulfonylamino]cyclohexyl]propanamide?
The InChIKey is FXBSXRLWDPFQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3S/c1-2-15(19)17-12-5-7-13(8-6-12)18-22(20,21)14-9-3-11(16)4-10-14/h3-4,9-10,12-13,18H,2,5-8H2,1H3,(H,17,19).
What are the key properties of N-[4-[(4-fluorophenyl)sulfonylamino]cyclohexyl]propanamide?
N-[4-[(4-fluorophenyl)sulfonylamino]cyclohexyl]propanamide has a molecular weight of 328.41 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-fluorophenyl)sulfonylamino]cyclohexyl]propanamide is sourced from PubChem (CID 44588347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).