N-[2-[2-(benzenesulfonamido)ethylamino]ethyl]benzenesulfonamide

C16H21N3O4S2 — CID 58729757

IUPACN-[2-[2-(benzenesulfonamido)ethylamino]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCNCCNS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H21N3O4S2/c20-24(21,15-7-3-1-4-8-15)18-13-11-17-12-14-19-25(22,23)16-9-5-2-6-10-16/h1-10,17-19H,11-14H2
InChIKeyIAIWBWCOHHMWOM-UHFFFAOYSA-N
MW383.50 g/mol
LogP0.53
Rot. Bonds10

About N-[2-[2-(benzenesulfonamido)ethylamino]ethyl]benzenesulfonamide

N-[2-[2-(benzenesulfonamido)ethylamino]ethyl]benzenesulfonamide (PubChem CID 58729757) has the molecular formula C16H21N3O4S2 and a molecular weight of 383.50 g/mol. Its IUPAC name is N-[2-[2-(benzenesulfonamido)ethylamino]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(benzenesulfonamido)ethylamino]ethyl]benzenesulfonamide
PubChem CID58729757
Molecular FormulaC16H21N3O4S2
Molecular Weight383.50 g/mol
Exact Mass383.10
IUPAC NameN-[2-[2-(benzenesulfonamido)ethylamino]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCNCCNS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H21N3O4S2/c20-24(21,15-7-3-1-4-8-15)18-13-11-17-12-14-19-25(22,23)16-9-5-2-6-10-16/h1-10,17-19H,11-14H2
InChIKeyIAIWBWCOHHMWOM-UHFFFAOYSA-N
XLogP0.53
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(benzenesulfonamido)ethyl]-4-methylsulfonylbenzenesulfonamide
CID 166199176
N-(2-iodoethyl)benzenesulfonamide
CID 68718657
N-[2-(ethylamino)ethyl]-4-phenylbenzenesulfonamide
CID 119973884
N-(2-methylsulfonylethyl)benzenesulfonamide
CID 63090699
N-(4-iodobutyl)benzenesulfonamide
CID 106846581
N-(4-bromobutyl)benzenesulfonamide
CID 106846700
N-[2-(2-methylbutan-2-ylamino)ethyl]benzenesulfonamide
CID 47364182
N-tridecylbenzenesulfonamide
CID 3514704
N-(benzenesulfonylmethyl)benzenesulfonamide
CID 23452744
N-[2-(cycloheptylamino)ethyl]benzenesulfonamide
CID 78977968
N-[3-[3-(benzenesulfonamido)propyl-methylamino]propyl]benzenesulfonamide
CID 58729767
2-[2-(benzenesulfonamido)ethylcarbamoyl]benzoic acid
CID 113083408

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(benzenesulfonamido)ethylamino]ethyl]benzenesulfonamide?
The IUPAC name of N-[2-[2-(benzenesulfonamido)ethylamino]ethyl]benzenesulfonamide (CID 58729757) is N-[2-[2-(benzenesulfonamido)ethylamino]ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-[2-(benzenesulfonamido)ethylamino]ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-[2-(benzenesulfonamido)ethylamino]ethyl]benzenesulfonamide is O=S(=O)(NCCNCCNS(=O)(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-[2-(benzenesulfonamido)ethylamino]ethyl]benzenesulfonamide?
The InChIKey is IAIWBWCOHHMWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4S2/c20-24(21,15-7-3-1-4-8-15)18-13-11-17-12-14-19-25(22,23)16-9-5-2-6-10-16/h1-10,17-19H,11-14H2.
What are the key properties of N-[2-[2-(benzenesulfonamido)ethylamino]ethyl]benzenesulfonamide?
N-[2-[2-(benzenesulfonamido)ethylamino]ethyl]benzenesulfonamide has a molecular weight of 383.50 g/mol, XLogP of 0.53, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(benzenesulfonamido)ethylamino]ethyl]benzenesulfonamide is sourced from PubChem (CID 58729757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).