1-N,1-N,2-N,2-N-tetraethylbenzene-1,2-disulfonamide

C14H24N2O4S2 — CID 3900555

IUPAC1-N,1-N,2-N,2-N-tetraethylbenzene-1,2-disulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccccc1S(=O)(=O)N(CC)CC
InChIInChI=1S/C14H24N2O4S2/c1-5-15(6-2)21(17,18)13-11-9-10-12-14(13)22(19,20)16(7-3)8-4/h9-12H,5-8H2,1-4H3
InChIKeyCERXCBXIJUAQHX-UHFFFAOYSA-N
MW348.49 g/mol
LogP1.75
Rot. Bonds8

About 1-N,1-N,2-N,2-N-tetraethylbenzene-1,2-disulfonamide

1-N,1-N,2-N,2-N-tetraethylbenzene-1,2-disulfonamide (PubChem CID 3900555) has the molecular formula C14H24N2O4S2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-N,1-N,2-N,2-N-tetraethylbenzene-1,2-disulfonamide.

Molecular Properties

Compound Name1-N,1-N,2-N,2-N-tetraethylbenzene-1,2-disulfonamide
PubChem CID3900555
Molecular FormulaC14H24N2O4S2
Molecular Weight348.49 g/mol
Exact Mass348.12
IUPAC Name1-N,1-N,2-N,2-N-tetraethylbenzene-1,2-disulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccccc1S(=O)(=O)N(CC)CC
InChIInChI=1S/C14H24N2O4S2/c1-5-15(6-2)21(17,18)13-11-9-10-12-14(13)22(19,20)16(7-3)8-4/h9-12H,5-8H2,1-4H3
InChIKeyCERXCBXIJUAQHX-UHFFFAOYSA-N
XLogP1.75
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N,N-diethylbenzenesulfonamide
CID 16783834
N-[2-(diethylsulfamoyl)phenyl]formamide
CID 168651949
N-(cyanomethyl)-N-ethyl-2-methylsulfonylbenzenesulfonamide
CID 86861078
2-azido-N,N-diethylbenzenesulfonamide
CID 150957201
2-amino-N,N-diethylpyridine-3-sulfonamide
CID 62150875
N-ethyl-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 60957801
2-amino-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 60980494
2-bromo-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 60957937
2-chloro-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 60957799
2-bromo-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 115755429
N-(2-bromoethyl)-N-ethyl-2-fluorobenzenesulfonamide
CID 80675750
N-(2-aminoethyl)-N-ethyl-2-fluorobenzenesulfonamide;ethane
CID 91216358

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,2-N,2-N-tetraethylbenzene-1,2-disulfonamide?
The IUPAC name of 1-N,1-N,2-N,2-N-tetraethylbenzene-1,2-disulfonamide (CID 3900555) is 1-N,1-N,2-N,2-N-tetraethylbenzene-1,2-disulfonamide.
What is the SMILES notation for 1-N,1-N,2-N,2-N-tetraethylbenzene-1,2-disulfonamide?
The canonical SMILES for 1-N,1-N,2-N,2-N-tetraethylbenzene-1,2-disulfonamide is CCN(CC)S(=O)(=O)c1ccccc1S(=O)(=O)N(CC)CC.
What is the InChIKey of 1-N,1-N,2-N,2-N-tetraethylbenzene-1,2-disulfonamide?
The InChIKey is CERXCBXIJUAQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S2/c1-5-15(6-2)21(17,18)13-11-9-10-12-14(13)22(19,20)16(7-3)8-4/h9-12H,5-8H2,1-4H3.
What are the key properties of 1-N,1-N,2-N,2-N-tetraethylbenzene-1,2-disulfonamide?
1-N,1-N,2-N,2-N-tetraethylbenzene-1,2-disulfonamide has a molecular weight of 348.49 g/mol, XLogP of 1.75, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,2-N,2-N-tetraethylbenzene-1,2-disulfonamide is sourced from PubChem (CID 3900555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).