N-[4-[2-(cyclohexylamino)ethylamino]butyl]-4-fluorobenzenesulfonamide

C18H30FN3O2S — CID 139937499

IUPACN-[4-[2-(cyclohexylamino)ethylamino]butyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NCCCCNCCNC1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C18H30FN3O2S/c19-16-8-10-18(11-9-16)25(23,24)22-13-5-4-12-20-14-15-21-17-6-2-1-3-7-17/h8-11,17,20-22H,1-7,12-15H2
InChIKeyGGXFAYSVUZKWTK-UHFFFAOYSA-N
MW371.52 g/mol
LogP2.40
Rot. Bonds11

About N-[4-[2-(cyclohexylamino)ethylamino]butyl]-4-fluorobenzenesulfonamide

N-[4-[2-(cyclohexylamino)ethylamino]butyl]-4-fluorobenzenesulfonamide (PubChem CID 139937499) has the molecular formula C18H30FN3O2S and a molecular weight of 371.52 g/mol. Its IUPAC name is N-[4-[2-(cyclohexylamino)ethylamino]butyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[2-(cyclohexylamino)ethylamino]butyl]-4-fluorobenzenesulfonamide
PubChem CID139937499
Molecular FormulaC18H30FN3O2S
Molecular Weight371.52 g/mol
Exact Mass371.20
IUPAC NameN-[4-[2-(cyclohexylamino)ethylamino]butyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NCCCCNCCNC1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C18H30FN3O2S/c19-16-8-10-18(11-9-16)25(23,24)22-13-5-4-12-20-14-15-21-17-6-2-1-3-7-17/h8-11,17,20-22H,1-7,12-15H2
InChIKeyGGXFAYSVUZKWTK-UHFFFAOYSA-N
XLogP2.40
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.52
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-[2-(cyclohexylamino)ethylamino]butyl]-4-fluorobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[2-(cyclohexylamino)ethylamino]butyl]-4-methoxybenzenesulfonamide
CID 139937566
N-[4-[2-(cyclohexylamino)ethylamino]butyl]-4-(trifluoromethoxy)benzenesulfonamide;dihydrochloride
CID 139937507
N-[4-[2-(cyclooctylamino)ethylamino]butyl]naphthalene-2-sulfonamide
CID 139937805
N-[2-(cycloheptylamino)ethyl]benzenesulfonamide
CID 78977968
N-[3-(ethylamino)propyl]-4-fluorobenzenesulfonamide
CID 43606529
N-[4-[2-(cycloheptylamino)ethylsulfamoyl]phenyl]acetamide;hydrochloride
CID 119987153
4-fluoro-N-(5-iodopentyl)benzenesulfonamide
CID 107322828
N-[3-(cyclohexylamino)propyl]-2-fluorobenzenesulfonamide
CID 2093654
N-[4-[2-(cyclohexylamino)ethylamino]butyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-sulfonamide;dihydrochloride
CID 139937526
N'-cyclohexyl-N-[2-(cyclohexylamino)ethyl]ethane-1,2-diamine
CID 23423562
N-[3-(cyclopropylamino)propyl]-4-ethylbenzenesulfonamide
CID 43598649
4-fluoro-N-[4-(propylamino)cyclohexyl]benzenesulfonamide
CID 43653616

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(cyclohexylamino)ethylamino]butyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[4-[2-(cyclohexylamino)ethylamino]butyl]-4-fluorobenzenesulfonamide (CID 139937499) is N-[4-[2-(cyclohexylamino)ethylamino]butyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[4-[2-(cyclohexylamino)ethylamino]butyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[4-[2-(cyclohexylamino)ethylamino]butyl]-4-fluorobenzenesulfonamide is O=S(=O)(NCCCCNCCNC1CCCCC1)c1ccc(F)cc1.
What is the InChIKey of N-[4-[2-(cyclohexylamino)ethylamino]butyl]-4-fluorobenzenesulfonamide?
The InChIKey is GGXFAYSVUZKWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30FN3O2S/c19-16-8-10-18(11-9-16)25(23,24)22-13-5-4-12-20-14-15-21-17-6-2-1-3-7-17/h8-11,17,20-22H,1-7,12-15H2.
What are the key properties of N-[4-[2-(cyclohexylamino)ethylamino]butyl]-4-fluorobenzenesulfonamide?
N-[4-[2-(cyclohexylamino)ethylamino]butyl]-4-fluorobenzenesulfonamide has a molecular weight of 371.52 g/mol, XLogP of 2.40, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(cyclohexylamino)ethylamino]butyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 139937499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).