N-[3-[3-(benzenesulfonamido)propyl-benzylamino]propyl]benzenesulfonamide

C25H31N3O4S2 — CID 11584206

IUPACN-[3-[3-(benzenesulfonamido)propyl-benzylamino]propyl]benzenesulfonamide
SMILESO=S(=O)(NCCCN(CCCNS(=O)(=O)c1ccccc1)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C25H31N3O4S2/c29-33(30,24-14-6-2-7-15-24)26-18-10-20-28(22-23-12-4-1-5-13-23)21-11-19-27-34(31,32)25-16-8-3-9-17-25/h1-9,12-17,26-27H,10-11,18-22H2
InChIKeyFMQRBAGIWCQXCT-UHFFFAOYSA-N
MW501.67 g/mol
LogP3.23
Rot. Bonds14

About N-[3-[3-(benzenesulfonamido)propyl-benzylamino]propyl]benzenesulfonamide

N-[3-[3-(benzenesulfonamido)propyl-benzylamino]propyl]benzenesulfonamide (PubChem CID 11584206) has the molecular formula C25H31N3O4S2 and a molecular weight of 501.67 g/mol. Its IUPAC name is N-[3-[3-(benzenesulfonamido)propyl-benzylamino]propyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[3-(benzenesulfonamido)propyl-benzylamino]propyl]benzenesulfonamide
PubChem CID11584206
Molecular FormulaC25H31N3O4S2
Molecular Weight501.67 g/mol
Exact Mass501.18
IUPAC NameN-[3-[3-(benzenesulfonamido)propyl-benzylamino]propyl]benzenesulfonamide
SMILESO=S(=O)(NCCCN(CCCNS(=O)(=O)c1ccccc1)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C25H31N3O4S2/c29-33(30,24-14-6-2-7-15-24)26-18-10-20-28(22-23-12-4-1-5-13-23)21-11-19-27-34(31,32)25-16-8-3-9-17-25/h1-9,12-17,26-27H,10-11,18-22H2
InChIKeyFMQRBAGIWCQXCT-UHFFFAOYSA-N
XLogP3.23
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.67
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-[3-(benzenesulfonamido)propyl-benzylamino]propyl]benzenesulfonamide 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-[2-[benzyl-[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl]-4-methylbenzenesulfonamide;hydrochloride
CID 71677105
N-[3-[3-(benzenesulfonamido)propyl-methylamino]propyl]benzenesulfonamide
CID 58729767
N-[5-(diethylamino)pentyl]benzenesulfonamide
CID 110444587
N-(4-bromobutyl)benzenesulfonamide
CID 106846700
N-[3-[benzyl(methyl)amino]propyl]-3,5-difluorobenzenesulfonamide
CID 47015302
4-acetyl-N-[3-[benzyl(methyl)amino]propyl]benzenesulfonamide
CID 51249681
N-[3-[benzyl(methyl)amino]propyl]-3,4-dimethylbenzenesulfonamide
CID 110446606
N-(2-iodoethyl)benzenesulfonamide
CID 68718657
N-(4-iodobutyl)benzenesulfonamide
CID 106846581
N-tridecylbenzenesulfonamide
CID 3514704
4-(benzenesulfonamidomethyl)-N-[2-(dibenzylamino)ethyl]benzamide
CID 44665683
N-[2-[2-(benzenesulfonamido)ethylamino]ethyl]benzenesulfonamide
CID 58729757

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(benzenesulfonamido)propyl-benzylamino]propyl]benzenesulfonamide?
The IUPAC name of N-[3-[3-(benzenesulfonamido)propyl-benzylamino]propyl]benzenesulfonamide (CID 11584206) is N-[3-[3-(benzenesulfonamido)propyl-benzylamino]propyl]benzenesulfonamide.
What is the SMILES notation for N-[3-[3-(benzenesulfonamido)propyl-benzylamino]propyl]benzenesulfonamide?
The canonical SMILES for N-[3-[3-(benzenesulfonamido)propyl-benzylamino]propyl]benzenesulfonamide is O=S(=O)(NCCCN(CCCNS(=O)(=O)c1ccccc1)Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-[3-[3-(benzenesulfonamido)propyl-benzylamino]propyl]benzenesulfonamide?
The InChIKey is FMQRBAGIWCQXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4S2/c29-33(30,24-14-6-2-7-15-24)26-18-10-20-28(22-23-12-4-1-5-13-23)21-11-19-27-34(31,32)25-16-8-3-9-17-25/h1-9,12-17,26-27H,10-11,18-22H2.
What are the key properties of N-[3-[3-(benzenesulfonamido)propyl-benzylamino]propyl]benzenesulfonamide?
N-[3-[3-(benzenesulfonamido)propyl-benzylamino]propyl]benzenesulfonamide has a molecular weight of 501.67 g/mol, XLogP of 3.23, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(benzenesulfonamido)propyl-benzylamino]propyl]benzenesulfonamide is sourced from PubChem (CID 11584206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).