N-(4,5-dihydroimidazol-1-ylsulfonyl)-4,5-dihydroimidazole-1-sulfonamide

C6H11N5O4S2 — CID 70845317

IUPACN-(4,5-dihydroimidazol-1-ylsulfonyl)-4,5-dihydroimidazole-1-sulfonamide
SMILESO=S(=O)(NS(=O)(=O)N1C=NCC1)N1C=NCC1
InChIInChI=1S/C6H11N5O4S2/c12-16(13,10-3-1-7-5-10)9-17(14,15)11-4-2-8-6-11/h5-6,9H,1-4H2
InChIKeyQNUMBCCLCVVAQP-UHFFFAOYSA-N
MW281.32 g/mol
LogP-2.25
Rot. Bonds4

About N-(4,5-dihydroimidazol-1-ylsulfonyl)-4,5-dihydroimidazole-1-sulfonamide

N-(4,5-dihydroimidazol-1-ylsulfonyl)-4,5-dihydroimidazole-1-sulfonamide (PubChem CID 70845317) has the molecular formula C6H11N5O4S2 and a molecular weight of 281.32 g/mol. Its IUPAC name is N-(4,5-dihydroimidazol-1-ylsulfonyl)-4,5-dihydroimidazole-1-sulfonamide.

Molecular Properties

Compound NameN-(4,5-dihydroimidazol-1-ylsulfonyl)-4,5-dihydroimidazole-1-sulfonamide
PubChem CID70845317
Molecular FormulaC6H11N5O4S2
Molecular Weight281.32 g/mol
Exact Mass281.03
IUPAC NameN-(4,5-dihydroimidazol-1-ylsulfonyl)-4,5-dihydroimidazole-1-sulfonamide
SMILESO=S(=O)(NS(=O)(=O)N1C=NCC1)N1C=NCC1
InChIInChI=1S/C6H11N5O4S2/c12-16(13,10-3-1-7-5-10)9-17(14,15)11-4-2-8-6-11/h5-6,9H,1-4H2
InChIKeyQNUMBCCLCVVAQP-UHFFFAOYSA-N
XLogP-2.25
TPSA111.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 5-2.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydroimidazol-1-ylsulfonyl)-4,5-dihydroimidazole-1-sulfonamide?
The IUPAC name of N-(4,5-dihydroimidazol-1-ylsulfonyl)-4,5-dihydroimidazole-1-sulfonamide (CID 70845317) is N-(4,5-dihydroimidazol-1-ylsulfonyl)-4,5-dihydroimidazole-1-sulfonamide.
What is the SMILES notation for N-(4,5-dihydroimidazol-1-ylsulfonyl)-4,5-dihydroimidazole-1-sulfonamide?
The canonical SMILES for N-(4,5-dihydroimidazol-1-ylsulfonyl)-4,5-dihydroimidazole-1-sulfonamide is O=S(=O)(NS(=O)(=O)N1C=NCC1)N1C=NCC1.
What is the InChIKey of N-(4,5-dihydroimidazol-1-ylsulfonyl)-4,5-dihydroimidazole-1-sulfonamide?
The InChIKey is QNUMBCCLCVVAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O4S2/c12-16(13,10-3-1-7-5-10)9-17(14,15)11-4-2-8-6-11/h5-6,9H,1-4H2.
What are the key properties of N-(4,5-dihydroimidazol-1-ylsulfonyl)-4,5-dihydroimidazole-1-sulfonamide?
N-(4,5-dihydroimidazol-1-ylsulfonyl)-4,5-dihydroimidazole-1-sulfonamide has a molecular weight of 281.32 g/mol, XLogP of -2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydroimidazol-1-ylsulfonyl)-4,5-dihydroimidazole-1-sulfonamide is sourced from PubChem (CID 70845317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).