N-[4-[2-(cyclooctylamino)ethylamino]butyl]naphthalene-2-sulfonamide

C24H37N3O2S — CID 139937805

IUPACN-[4-[2-(cyclooctylamino)ethylamino]butyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(NCCCCNCCNC1CCCCCCC1)c1ccc2ccccc2c1
InChIInChI=1S/C24H37N3O2S/c28-30(29,24-15-14-21-10-6-7-11-22(21)20-24)27-17-9-8-16-25-18-19-26-23-12-4-2-1-3-5-13-23/h6-7,10-11,14-15,20,23,25-27H,1-5,8-9,12-13,16-19H2
InChIKeyPSTFQQFSDBFKFE-UHFFFAOYSA-N
MW431.65 g/mol
LogP4.19
Rot. Bonds11

About N-[4-[2-(cyclooctylamino)ethylamino]butyl]naphthalene-2-sulfonamide

N-[4-[2-(cyclooctylamino)ethylamino]butyl]naphthalene-2-sulfonamide (PubChem CID 139937805) has the molecular formula C24H37N3O2S and a molecular weight of 431.65 g/mol. Its IUPAC name is N-[4-[2-(cyclooctylamino)ethylamino]butyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[2-(cyclooctylamino)ethylamino]butyl]naphthalene-2-sulfonamide
PubChem CID139937805
Molecular FormulaC24H37N3O2S
Molecular Weight431.65 g/mol
Exact Mass431.26
IUPAC NameN-[4-[2-(cyclooctylamino)ethylamino]butyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(NCCCCNCCNC1CCCCCCC1)c1ccc2ccccc2c1
InChIInChI=1S/C24H37N3O2S/c28-30(29,24-15-14-21-10-6-7-11-22(21)20-24)27-17-9-8-16-25-18-19-26-23-12-4-2-1-3-5-13-23/h6-7,10-11,14-15,20,23,25-27H,1-5,8-9,12-13,16-19H2
InChIKeyPSTFQQFSDBFKFE-UHFFFAOYSA-N
XLogP4.19
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.65
LogP ≤ 54.19
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-(cyclooctylamino)ethylamino]butyl]naphthalene-2-sulfonamide 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-[(3-amino-3-cyclohexylpropyl)amino]butyl]naphthalene-2-sulfonamide;dihydrochloride
CID 139937731
N-[4-[2-(cyclohexylamino)ethylamino]butyl]-4-fluorobenzenesulfonamide
CID 139937499
N-[4-[2-(cyclohexylamino)ethylamino]butyl]-4-(trifluoromethoxy)benzenesulfonamide;dihydrochloride
CID 139937507
N-[2-(cycloheptylamino)ethyl]benzenesulfonamide
CID 78977968
N-[2-(naphthalen-2-ylsulfonylamino)ethyl]naphthalene-2-sulfonamide
CID 30170513
N-nonylnaphthalene-2-sulfonamide
CID 19681387
N-[2-(cycloheptylamino)ethyl]-3-methylsulfonylbenzenesulfonamide
CID 119987331
N-[3-(ethylsulfonylamino)propyl]naphthalene-2-sulfonamide
CID 49459732
N-[2-(1-methylpiperidin-2-yl)ethyl]naphthalene-2-sulfonamide
CID 22500529
N-[3-(4-phenylpiperidin-1-yl)propyl]naphthalene-2-sulfonamide
CID 168832226
N-[3-(methylamino)propyl]naphthalene-2-sulfonamide;hydrochloride
CID 119964824

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(cyclooctylamino)ethylamino]butyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[4-[2-(cyclooctylamino)ethylamino]butyl]naphthalene-2-sulfonamide (CID 139937805) is N-[4-[2-(cyclooctylamino)ethylamino]butyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[4-[2-(cyclooctylamino)ethylamino]butyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[4-[2-(cyclooctylamino)ethylamino]butyl]naphthalene-2-sulfonamide is O=S(=O)(NCCCCNCCNC1CCCCCCC1)c1ccc2ccccc2c1.
What is the InChIKey of N-[4-[2-(cyclooctylamino)ethylamino]butyl]naphthalene-2-sulfonamide?
The InChIKey is PSTFQQFSDBFKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O2S/c28-30(29,24-15-14-21-10-6-7-11-22(21)20-24)27-17-9-8-16-25-18-19-26-23-12-4-2-1-3-5-13-23/h6-7,10-11,14-15,20,23,25-27H,1-5,8-9,12-13,16-19H2.
What are the key properties of N-[4-[2-(cyclooctylamino)ethylamino]butyl]naphthalene-2-sulfonamide?
N-[4-[2-(cyclooctylamino)ethylamino]butyl]naphthalene-2-sulfonamide has a molecular weight of 431.65 g/mol, XLogP of 4.19, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(cyclooctylamino)ethylamino]butyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 139937805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).