1,4-bis[(E)-dimethylsulfamoyliminomethyl]benzene

C12H18N4O4S2 — CID 10617583

IUPAC1,4-bis[(E)-dimethylsulfamoyliminomethyl]benzene
SMILESCN(C)S(=O)(=O)/N=C/c1ccc(/C=N/S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C12H18N4O4S2/c1-15(2)21(17,18)13-9-11-5-7-12(8-6-11)10-14-22(19,20)16(3)4/h5-10H,1-4H3/b13-9+,14-10+
InChIKeyLLDKBIIEULQPRF-UTLPMFLDSA-N
MW346.43 g/mol
LogP0.14
Rot. Bonds6

About 1,4-bis[(E)-dimethylsulfamoyliminomethyl]benzene

1,4-bis[(E)-dimethylsulfamoyliminomethyl]benzene (PubChem CID 10617583) has the molecular formula C12H18N4O4S2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1,4-bis[(E)-dimethylsulfamoyliminomethyl]benzene.

Molecular Properties

Compound Name1,4-bis[(E)-dimethylsulfamoyliminomethyl]benzene
PubChem CID10617583
Molecular FormulaC12H18N4O4S2
Molecular Weight346.43 g/mol
Exact Mass346.08
IUPAC Name1,4-bis[(E)-dimethylsulfamoyliminomethyl]benzene
SMILESCN(C)S(=O)(=O)/N=C/c1ccc(/C=N/S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C12H18N4O4S2/c1-15(2)21(17,18)13-9-11-5-7-12(8-6-11)10-14-22(19,20)16(3)4/h5-10H,1-4H3/b13-9+,14-10+
InChIKeyLLDKBIIEULQPRF-UTLPMFLDSA-N
XLogP0.14
TPSA99.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis[(E)-dimethylsulfamoyliminomethyl]benzene?
The IUPAC name of 1,4-bis[(E)-dimethylsulfamoyliminomethyl]benzene (CID 10617583) is 1,4-bis[(E)-dimethylsulfamoyliminomethyl]benzene.
What is the SMILES notation for 1,4-bis[(E)-dimethylsulfamoyliminomethyl]benzene?
The canonical SMILES for 1,4-bis[(E)-dimethylsulfamoyliminomethyl]benzene is CN(C)S(=O)(=O)/N=C/c1ccc(/C=N/S(=O)(=O)N(C)C)cc1.
What is the InChIKey of 1,4-bis[(E)-dimethylsulfamoyliminomethyl]benzene?
The InChIKey is LLDKBIIEULQPRF-UTLPMFLDSA-N. The full InChI is InChI=1S/C12H18N4O4S2/c1-15(2)21(17,18)13-9-11-5-7-12(8-6-11)10-14-22(19,20)16(3)4/h5-10H,1-4H3/b13-9+,14-10+.
What are the key properties of 1,4-bis[(E)-dimethylsulfamoyliminomethyl]benzene?
1,4-bis[(E)-dimethylsulfamoyliminomethyl]benzene has a molecular weight of 346.43 g/mol, XLogP of 0.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[(E)-dimethylsulfamoyliminomethyl]benzene is sourced from PubChem (CID 10617583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).