Basic information
- CAS
73953-85-2- Standard SMILES
O=C(NCCCCCCNC(=O)NS(=O)(=O)c1ccccc1)NS(=O)(=O)c1ccccc1- InChIKey
VXHROGRVQMJGNU-UHFFFAOYSA-N- Molecular formula
- C20H26N4O6S2
- Average molar mass
- 482.6 g/mol
- Monoisotopic mass
- 482.12937691
Names & identifiers
- Preferred name
- Urea, 1,1'-hexamethylenebis(3,3'-benzenesulfonyl-
- IUPAC
- 1-(benzenesulfonyl)-3-[6-(benzenesulfonylcarbamoylamino)hexyl]urea
- English name
- N,N'-[1,6-Hexanediylbis(iminocarbonyl)]bis(benzenesulfonamide)
- Molecular formula
- C20H26N4O6S2
- Molecular weight
- 482.57
Names & synonyms
73953-85-2Urea, 1,1'-hexamethylenebis(3,3'-benzenesulfonyl-N,N'-Bis(phenylsulfonylcarbamyl)-1,6-hexamethylenediamineNSC 102099BRN 35132841,6-Hexanediamine, N,N'-bis(benzenesulfonamidocarbonyl)-1,1'-Hexamethylenebis(3,3'-phenylsulfonylurea)Benzenesulfonamide, N,N'-(1,6-hexanediylbis(iminocarbonyl))bis-DTXSID602246844-11-00-00075 (Beilstein Handbook Reference)RefChem:387165DTXCID90147175
Show more names
1,1'-Hexamethylenebis(3-phenylsulfonylurea)N,N'-[1,6-Hexanediylbis(iminocarbonyl)]bis(benzenesulfonamide)Benzenesulfonamide, N,N'-[1,6-hexanediylbis(iminocarbonyl)]bis- (9CI)
Benzenesulfonamide, N,N'-(1,6-hexanediylbis(iminocarbonyl))bis-(9CI)NSC1020998Z6GJK9NH9NSC-102099n,n'-(hexane-1,6-diyldicarbamoyl)dibenzenesulfonamide1-(benzenesulfonyl)-3-[6-(benzenesulfonylcarbamoylamino)hexyl]urea1,3'-phenylsulfonylurea]UNII-8Z6GJK9NH9
Database identifiers
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 167 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 725
Physicochemical properties
- FDA UNII
- 8 Z6GJK9NH9 · 8Z6GJK9NH9
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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