3-N-(2-ethylphenyl)benzene-1,3-disulfonamide

C14H16N2O4S2 — CID 30286365

IUPAC3-N-(2-ethylphenyl)benzene-1,3-disulfonamide
SMILESCCc1ccccc1NS(=O)(=O)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C14H16N2O4S2/c1-2-11-6-3-4-9-14(11)16-22(19,20)13-8-5-7-12(10-13)21(15,17)18/h3-10,16H,2H2,1H3,(H2,15,17,18)
InChIKeyVXXNRUBRZVBAQI-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.70
Rot. Bonds5

About 3-N-(2-ethylphenyl)benzene-1,3-disulfonamide

3-N-(2-ethylphenyl)benzene-1,3-disulfonamide (PubChem CID 30286365) has the molecular formula C14H16N2O4S2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 3-N-(2-ethylphenyl)benzene-1,3-disulfonamide.

Molecular Properties

Compound Name3-N-(2-ethylphenyl)benzene-1,3-disulfonamide
PubChem CID30286365
Molecular FormulaC14H16N2O4S2
Molecular Weight340.43 g/mol
Exact Mass340.06
IUPAC Name3-N-(2-ethylphenyl)benzene-1,3-disulfonamide
SMILESCCc1ccccc1NS(=O)(=O)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C14H16N2O4S2/c1-2-11-6-3-4-9-14(11)16-22(19,20)13-8-5-7-12(10-13)21(15,17)18/h3-10,16H,2H2,1H3,(H2,15,17,18)
InChIKeyVXXNRUBRZVBAQI-UHFFFAOYSA-N
XLogP1.70
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-naphthalen-1-ylbenzene-1,3-disulfonamide
CID 30285558
3-N-(4-ethylphenyl)benzene-1,3-disulfonamide
CID 31065784
4-bromo-N-(2-ethylphenyl)-3-fluorobenzenesulfonamide
CID 97161968
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-disulfonamide
CID 25048038
N-[2-(aminomethyl)phenyl]-3-chlorobenzenesulfonamide
CID 64897005
3-[(2-ethylphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide
CID 109063665
3-N-[2-(2-chlorophenoxy)phenyl]benzene-1,3-disulfonamide
CID 25325682
2-bromo-N-(2-ethylphenyl)benzenesulfonamide
CID 26949668
benzene-1,3-disulfonamide
CID 3090044
2-[(3-methylphenyl)sulfonylamino]benzenesulfonamide
CID 57266876
N-(2-ethylphenyl)-4-nitrobenzenesulfonamide
CID 3980128
methyl 2-methyl-6-[(3-sulfamoylphenyl)sulfonylamino]benzoate
CID 18283717

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-ethylphenyl)benzene-1,3-disulfonamide?
The IUPAC name of 3-N-(2-ethylphenyl)benzene-1,3-disulfonamide (CID 30286365) is 3-N-(2-ethylphenyl)benzene-1,3-disulfonamide.
What is the SMILES notation for 3-N-(2-ethylphenyl)benzene-1,3-disulfonamide?
The canonical SMILES for 3-N-(2-ethylphenyl)benzene-1,3-disulfonamide is CCc1ccccc1NS(=O)(=O)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-N-(2-ethylphenyl)benzene-1,3-disulfonamide?
The InChIKey is VXXNRUBRZVBAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S2/c1-2-11-6-3-4-9-14(11)16-22(19,20)13-8-5-7-12(10-13)21(15,17)18/h3-10,16H,2H2,1H3,(H2,15,17,18).
What are the key properties of 3-N-(2-ethylphenyl)benzene-1,3-disulfonamide?
3-N-(2-ethylphenyl)benzene-1,3-disulfonamide has a molecular weight of 340.43 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-ethylphenyl)benzene-1,3-disulfonamide is sourced from PubChem (CID 30286365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).