1-N-ethyl-2-fluoro-1-N-(2-methoxyethyl)benzene-1,4-disulfonamide

C11H17FN2O5S2 — CID 61384433

IUPAC1-N-ethyl-2-fluoro-1-N-(2-methoxyethyl)benzene-1,4-disulfonamide
SMILESCCN(CCOC)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C11H17FN2O5S2/c1-3-14(6-7-19-2)21(17,18)11-5-4-9(8-10(11)12)20(13,15)16/h4-5,8H,3,6-7H2,1-2H3,(H2,13,15,16)
InChIKeyYHCXDBUFDCFZCD-UHFFFAOYSA-N
MW340.40 g/mol
LogP0.13
Rot. Bonds7

About 1-N-ethyl-2-fluoro-1-N-(2-methoxyethyl)benzene-1,4-disulfonamide

1-N-ethyl-2-fluoro-1-N-(2-methoxyethyl)benzene-1,4-disulfonamide (PubChem CID 61384433) has the molecular formula C11H17FN2O5S2 and a molecular weight of 340.40 g/mol. Its IUPAC name is 1-N-ethyl-2-fluoro-1-N-(2-methoxyethyl)benzene-1,4-disulfonamide.

Molecular Properties

Compound Name1-N-ethyl-2-fluoro-1-N-(2-methoxyethyl)benzene-1,4-disulfonamide
PubChem CID61384433
Molecular FormulaC11H17FN2O5S2
Molecular Weight340.40 g/mol
Exact Mass340.06
IUPAC Name1-N-ethyl-2-fluoro-1-N-(2-methoxyethyl)benzene-1,4-disulfonamide
SMILESCCN(CCOC)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C11H17FN2O5S2/c1-3-14(6-7-19-2)21(17,18)11-5-4-9(8-10(11)12)20(13,15)16/h4-5,8H,3,6-7H2,1-2H3,(H2,13,15,16)
InChIKeyYHCXDBUFDCFZCD-UHFFFAOYSA-N
XLogP0.13
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-ethyl-3-N-(2-methoxyethyl)benzene-1,3-disulfonamide
CID 61384378
4-amino-N-ethyl-2-methoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 61444696
2-amino-4-bromo-N-ethyl-N-(2-methoxyethyl)benzenesulfonamide
CID 61444697
N-ethyl-2-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 65387640
2-(3-aminoprop-1-ynyl)-N-ethyl-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 61447521
2-fluoro-1-N-(4-methoxybutan-2-yl)benzene-1,4-disulfonamide
CID 62734262
2-fluoro-4-(hydroxymethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 79178570
methyl 3-amino-4-[ethyl(2-methoxyethyl)sulfamoyl]benzoate
CID 61444348
2-fluoro-4-sulfamoylbenzenesulfonic acid
CID 174894500
1-N-cyclopropyl-2-fluoro-1-N-methylbenzene-1,4-disulfonamide
CID 47358758
2,4-difluoro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 74225327
4-(bromomethyl)-N-ethyl-N-(2-methoxyethyl)benzenesulfonamide
CID 65482217

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-2-fluoro-1-N-(2-methoxyethyl)benzene-1,4-disulfonamide?
The IUPAC name of 1-N-ethyl-2-fluoro-1-N-(2-methoxyethyl)benzene-1,4-disulfonamide (CID 61384433) is 1-N-ethyl-2-fluoro-1-N-(2-methoxyethyl)benzene-1,4-disulfonamide.
What is the SMILES notation for 1-N-ethyl-2-fluoro-1-N-(2-methoxyethyl)benzene-1,4-disulfonamide?
The canonical SMILES for 1-N-ethyl-2-fluoro-1-N-(2-methoxyethyl)benzene-1,4-disulfonamide is CCN(CCOC)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1F.
What is the InChIKey of 1-N-ethyl-2-fluoro-1-N-(2-methoxyethyl)benzene-1,4-disulfonamide?
The InChIKey is YHCXDBUFDCFZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O5S2/c1-3-14(6-7-19-2)21(17,18)11-5-4-9(8-10(11)12)20(13,15)16/h4-5,8H,3,6-7H2,1-2H3,(H2,13,15,16).
What are the key properties of 1-N-ethyl-2-fluoro-1-N-(2-methoxyethyl)benzene-1,4-disulfonamide?
1-N-ethyl-2-fluoro-1-N-(2-methoxyethyl)benzene-1,4-disulfonamide has a molecular weight of 340.40 g/mol, XLogP of 0.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-2-fluoro-1-N-(2-methoxyethyl)benzene-1,4-disulfonamide is sourced from PubChem (CID 61384433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).