N-[3-(cyclohexylamino)propyl]-2-fluorobenzenesulfonamide

C15H23FN2O2S — CID 2093654

IUPACN-[3-(cyclohexylamino)propyl]-2-fluorobenzenesulfonamide
SMILESO=S(=O)(NCCCNC1CCCCC1)c1ccccc1F
InChIInChI=1S/C15H23FN2O2S/c16-14-9-4-5-10-15(14)21(19,20)18-12-6-11-17-13-7-2-1-3-8-13/h4-5,9-10,13,17-18H,1-3,6-8,11-12H2
InChIKeyICULMLQXRVPFBU-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.42
Rot. Bonds7

About N-[3-(cyclohexylamino)propyl]-2-fluorobenzenesulfonamide

N-[3-(cyclohexylamino)propyl]-2-fluorobenzenesulfonamide (PubChem CID 2093654) has the molecular formula C15H23FN2O2S and a molecular weight of 314.43 g/mol. Its IUPAC name is N-[3-(cyclohexylamino)propyl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(cyclohexylamino)propyl]-2-fluorobenzenesulfonamide
PubChem CID2093654
Molecular FormulaC15H23FN2O2S
Molecular Weight314.43 g/mol
Exact Mass314.15
IUPAC NameN-[3-(cyclohexylamino)propyl]-2-fluorobenzenesulfonamide
SMILESO=S(=O)(NCCCNC1CCCCC1)c1ccccc1F
InChIInChI=1S/C15H23FN2O2S/c16-14-9-4-5-10-15(14)21(19,20)18-12-6-11-17-13-7-2-1-3-8-13/h4-5,9-10,13,17-18H,1-3,6-8,11-12H2
InChIKeyICULMLQXRVPFBU-UHFFFAOYSA-N
XLogP2.42
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.42
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

N-(3-cyclopropylpropyl)-2-fluorobenzenesulfonamide
CID 115638756
4-[3-(cyclopropylamino)propylsulfamoyl]-3-fluorobenzoic acid
CID 79177684
N-[2-(cycloheptylamino)ethyl]benzenesulfonamide
CID 78977968
2-fluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 74225171
3-chloro-N-[3-(cyclopropylamino)propyl]-2-methylbenzenesulfonamide
CID 43598659
N-[4-[2-(cyclohexylamino)ethylamino]butyl]-4-fluorobenzenesulfonamide
CID 139937499
N-[3-(2,6-difluorophenoxy)propyl]cyclohexanamine
CID 81269341
N-[2-(cycloheptylamino)ethyl]-2-fluoro-6-nitrobenzenesulfonamide
CID 119987233
5-chloro-N-[3-(cyclopropylamino)propyl]-2-methylbenzenesulfonamide
CID 43598652
N-[3-(cyclopropylamino)propyl]-3-fluoro-4-methylbenzenesulfonamide
CID 43598658
N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-2-fluorobenzenesulfonamide
CID 60539994
2-bromo-N-[2-(cyclopropylamino)ethyl]benzenesulfonamide
CID 55100980

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclohexylamino)propyl]-2-fluorobenzenesulfonamide?
The IUPAC name of N-[3-(cyclohexylamino)propyl]-2-fluorobenzenesulfonamide (CID 2093654) is N-[3-(cyclohexylamino)propyl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-[3-(cyclohexylamino)propyl]-2-fluorobenzenesulfonamide?
The canonical SMILES for N-[3-(cyclohexylamino)propyl]-2-fluorobenzenesulfonamide is O=S(=O)(NCCCNC1CCCCC1)c1ccccc1F.
What is the InChIKey of N-[3-(cyclohexylamino)propyl]-2-fluorobenzenesulfonamide?
The InChIKey is ICULMLQXRVPFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2S/c16-14-9-4-5-10-15(14)21(19,20)18-12-6-11-17-13-7-2-1-3-8-13/h4-5,9-10,13,17-18H,1-3,6-8,11-12H2.
What are the key properties of N-[3-(cyclohexylamino)propyl]-2-fluorobenzenesulfonamide?
N-[3-(cyclohexylamino)propyl]-2-fluorobenzenesulfonamide has a molecular weight of 314.43 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclohexylamino)propyl]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 2093654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).