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

C19H27N3O4S2 — CID 58729767

IUPACN-[3-[3-(benzenesulfonamido)propyl-methylamino]propyl]benzenesulfonamide
SMILESCN(CCCNS(=O)(=O)c1ccccc1)CCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C19H27N3O4S2/c1-22(16-8-14-20-27(23,24)18-10-4-2-5-11-18)17-9-15-21-28(25,26)19-12-6-3-7-13-19/h2-7,10-13,20-21H,8-9,14-17H2,1H3
InChIKeyPQGXDXDSCAIKHS-UHFFFAOYSA-N
MW425.58 g/mol
LogP1.66
Rot. Bonds12

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

N-[3-[3-(benzenesulfonamido)propyl-methylamino]propyl]benzenesulfonamide (PubChem CID 58729767) has the molecular formula C19H27N3O4S2 and a molecular weight of 425.58 g/mol. Its IUPAC name is N-[3-[3-(benzenesulfonamido)propyl-methylamino]propyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[3-(benzenesulfonamido)propyl-methylamino]propyl]benzenesulfonamide
PubChem CID58729767
Molecular FormulaC19H27N3O4S2
Molecular Weight425.58 g/mol
Exact Mass425.14
IUPAC NameN-[3-[3-(benzenesulfonamido)propyl-methylamino]propyl]benzenesulfonamide
SMILESCN(CCCNS(=O)(=O)c1ccccc1)CCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C19H27N3O4S2/c1-22(16-8-14-20-27(23,24)18-10-4-2-5-11-18)17-9-15-21-28(25,26)19-12-6-3-7-13-19/h2-7,10-13,20-21H,8-9,14-17H2,1H3
InChIKeyPQGXDXDSCAIKHS-UHFFFAOYSA-N
XLogP1.66
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.58
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[3-(benzenesulfonamido)propyl-benzylamino]propyl]benzenesulfonamide
CID 11584206
N-[3-[benzyl(methyl)amino]propyl]-3,5-difluorobenzenesulfonamide
CID 47015302
4-acetyl-N-[3-[benzyl(methyl)amino]propyl]benzenesulfonamide
CID 51249681
N-[5-(diethylamino)pentyl]benzenesulfonamide
CID 110444587
N-[3-[benzyl(methyl)amino]propyl]-3,4-dimethylbenzenesulfonamide
CID 110446606
N-tridecylbenzenesulfonamide
CID 3514704
N-(2-iodoethyl)benzenesulfonamide
CID 68718657
N-(4-bromobutyl)benzenesulfonamide
CID 106846700
N-(4-iodobutyl)benzenesulfonamide
CID 106846581
N-[2-[2-(dimethylamino)ethoxy]ethyl]benzenesulfonamide
CID 104538372
N-[2-[2-(benzenesulfonamido)ethylamino]ethyl]benzenesulfonamide
CID 58729757
N-(4-aminopentyl)benzenesulfonamide
CID 106125730

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(benzenesulfonamido)propyl-methylamino]propyl]benzenesulfonamide?
The IUPAC name of N-[3-[3-(benzenesulfonamido)propyl-methylamino]propyl]benzenesulfonamide (CID 58729767) is N-[3-[3-(benzenesulfonamido)propyl-methylamino]propyl]benzenesulfonamide.
What is the SMILES notation for N-[3-[3-(benzenesulfonamido)propyl-methylamino]propyl]benzenesulfonamide?
The canonical SMILES for N-[3-[3-(benzenesulfonamido)propyl-methylamino]propyl]benzenesulfonamide is CN(CCCNS(=O)(=O)c1ccccc1)CCCNS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[3-[3-(benzenesulfonamido)propyl-methylamino]propyl]benzenesulfonamide?
The InChIKey is PQGXDXDSCAIKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4S2/c1-22(16-8-14-20-27(23,24)18-10-4-2-5-11-18)17-9-15-21-28(25,26)19-12-6-3-7-13-19/h2-7,10-13,20-21H,8-9,14-17H2,1H3.
What are the key properties of N-[3-[3-(benzenesulfonamido)propyl-methylamino]propyl]benzenesulfonamide?
N-[3-[3-(benzenesulfonamido)propyl-methylamino]propyl]benzenesulfonamide has a molecular weight of 425.58 g/mol, XLogP of 1.66, 12 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-methylamino]propyl]benzenesulfonamide is sourced from PubChem (CID 58729767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).