N-(dimorpholin-4-yl-λ4-sulfanylidene)benzenesulfonamide

C14H21N3O4S2 — CID 4162433

IUPACN-(dimorpholin-4-yl-λ4-sulfanylidene)benzenesulfonamide
SMILESO=S(=O)(N=S(N1CCOCC1)N1CCOCC1)c1ccccc1
InChIInChI=1S/C14H21N3O4S2/c18-23(19,14-4-2-1-3-5-14)15-22(16-6-10-20-11-7-16)17-8-12-21-13-9-17/h1-5H,6-13H2
InChIKeyQZAADJCCESEMGM-UHFFFAOYSA-N
MW359.47 g/mol
LogP0.67
Rot. Bonds4

About N-(dimorpholin-4-yl-λ4-sulfanylidene)benzenesulfonamide

N-(dimorpholin-4-yl-λ4-sulfanylidene)benzenesulfonamide (PubChem CID 4162433) has the molecular formula C14H21N3O4S2 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-(dimorpholin-4-yl-λ4-sulfanylidene)benzenesulfonamide.

Molecular Properties

Compound NameN-(dimorpholin-4-yl-λ4-sulfanylidene)benzenesulfonamide
PubChem CID4162433
Molecular FormulaC14H21N3O4S2
Molecular Weight359.47 g/mol
Exact Mass359.10
IUPAC NameN-(dimorpholin-4-yl-λ4-sulfanylidene)benzenesulfonamide
SMILESO=S(=O)(N=S(N1CCOCC1)N1CCOCC1)c1ccccc1
InChIInChI=1S/C14H21N3O4S2/c18-23(19,14-4-2-1-3-5-14)15-22(16-6-10-20-11-7-16)17-8-12-21-13-9-17/h1-5H,6-13H2
InChIKeyQZAADJCCESEMGM-UHFFFAOYSA-N
XLogP0.67
TPSA71.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(dimorpholin-4-yl-λ4-sulfanylidene)benzenesulfonamide?
The IUPAC name of N-(dimorpholin-4-yl-λ4-sulfanylidene)benzenesulfonamide (CID 4162433) is N-(dimorpholin-4-yl-λ4-sulfanylidene)benzenesulfonamide.
What is the SMILES notation for N-(dimorpholin-4-yl-λ4-sulfanylidene)benzenesulfonamide?
The canonical SMILES for N-(dimorpholin-4-yl-λ4-sulfanylidene)benzenesulfonamide is O=S(=O)(N=S(N1CCOCC1)N1CCOCC1)c1ccccc1.
What is the InChIKey of N-(dimorpholin-4-yl-λ4-sulfanylidene)benzenesulfonamide?
The InChIKey is QZAADJCCESEMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S2/c18-23(19,14-4-2-1-3-5-14)15-22(16-6-10-20-11-7-16)17-8-12-21-13-9-17/h1-5H,6-13H2.
What are the key properties of N-(dimorpholin-4-yl-λ4-sulfanylidene)benzenesulfonamide?
N-(dimorpholin-4-yl-λ4-sulfanylidene)benzenesulfonamide has a molecular weight of 359.47 g/mol, XLogP of 0.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dimorpholin-4-yl-λ4-sulfanylidene)benzenesulfonamide is sourced from PubChem (CID 4162433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).