4-fluoro-N-[4-(propylamino)cyclohexyl]benzenesulfonamide

C15H23FN2O2S — CID 43653616

IUPAC4-fluoro-N-[4-(propylamino)cyclohexyl]benzenesulfonamide
SMILESCCCNC1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C15H23FN2O2S/c1-2-11-17-13-5-7-14(8-6-13)18-21(19,20)15-9-3-12(16)4-10-15/h3-4,9-10,13-14,17-18H,2,5-8,11H2,1H3
InChIKeyATHKQJZXSXLTDS-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.41
Rot. Bonds6

About 4-fluoro-N-[4-(propylamino)cyclohexyl]benzenesulfonamide

4-fluoro-N-[4-(propylamino)cyclohexyl]benzenesulfonamide (PubChem CID 43653616) has the molecular formula C15H23FN2O2S and a molecular weight of 314.43 g/mol. Its IUPAC name is 4-fluoro-N-[4-(propylamino)cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[4-(propylamino)cyclohexyl]benzenesulfonamide
PubChem CID43653616
Molecular FormulaC15H23FN2O2S
Molecular Weight314.43 g/mol
Exact Mass314.15
IUPAC Name4-fluoro-N-[4-(propylamino)cyclohexyl]benzenesulfonamide
SMILESCCCNC1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C15H23FN2O2S/c1-2-11-17-13-5-7-14(8-6-13)18-21(19,20)15-9-3-12(16)4-10-15/h3-4,9-10,13-14,17-18H,2,5-8,11H2,1H3
InChIKeyATHKQJZXSXLTDS-UHFFFAOYSA-N
XLogP2.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(4-fluorophenyl)sulfonylamino]cyclohexyl]propanamide
CID 44588347
4-(2,4-difluorophenyl)-N-[4-(ethylamino)cyclohexyl]benzenesulfonamide
CID 45279055
1-N-cyclopropyl-4-N,4-N-bis[(4-fluorophenyl)methyl]benzene-1,4-disulfonamide
CID 1176403
N-[4-(ethylamino)cyclohexyl]-5-fluoro-2-methylbenzenesulfonamide
CID 43653558
N-(3-ethylcyclohexyl)-4-fluorobenzenesulfonamide
CID 64749989
N-[4-(ethylamino)cyclohexyl]-2,5-difluorobenzenesulfonamide
CID 43653555
N-cyclopropyl-4-[(cyclopropylamino)methyl]benzenesulfonamide
CID 60822263
ethyl 4-[(4-fluorophenyl)sulfonylamino]piperidine-1-carboxylate
CID 26945531
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-(4-fluorophenyl)acetamide
CID 47058155
4-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]cyclohexyl]benzenesulfonamide
CID 2975212
N-cyclopropyl-4-(2-methylsulfonylethylamino)benzenesulfonamide
CID 60919052
4-(cyclopropylsulfamoyl)-N-[(4-fluorophenyl)methyl]benzamide
CID 17496581

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-(propylamino)cyclohexyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[4-(propylamino)cyclohexyl]benzenesulfonamide (CID 43653616) is 4-fluoro-N-[4-(propylamino)cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[4-(propylamino)cyclohexyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[4-(propylamino)cyclohexyl]benzenesulfonamide is CCCNC1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 4-fluoro-N-[4-(propylamino)cyclohexyl]benzenesulfonamide?
The InChIKey is ATHKQJZXSXLTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2S/c1-2-11-17-13-5-7-14(8-6-13)18-21(19,20)15-9-3-12(16)4-10-15/h3-4,9-10,13-14,17-18H,2,5-8,11H2,1H3.
What are the key properties of 4-fluoro-N-[4-(propylamino)cyclohexyl]benzenesulfonamide?
4-fluoro-N-[4-(propylamino)cyclohexyl]benzenesulfonamide has a molecular weight of 314.43 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-(propylamino)cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 43653616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).