2-fluoro-1-N-(4-methoxybutan-2-yl)benzene-1,4-disulfonamide

C11H17FN2O5S2 — CID 62734262

IUPAC2-fluoro-1-N-(4-methoxybutan-2-yl)benzene-1,4-disulfonamide
SMILESCOCCC(C)NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C11H17FN2O5S2/c1-8(5-6-19-2)14-21(17,18)11-4-3-9(7-10(11)12)20(13,15)16/h3-4,7-8,14H,5-6H2,1-2H3,(H2,13,15,16)
InChIKeyIQMZZCKLIPRQKP-UHFFFAOYSA-N
MW340.40 g/mol
LogP0.18
Rot. Bonds7

About 2-fluoro-1-N-(4-methoxybutan-2-yl)benzene-1,4-disulfonamide

2-fluoro-1-N-(4-methoxybutan-2-yl)benzene-1,4-disulfonamide (PubChem CID 62734262) has the molecular formula C11H17FN2O5S2 and a molecular weight of 340.40 g/mol. Its IUPAC name is 2-fluoro-1-N-(4-methoxybutan-2-yl)benzene-1,4-disulfonamide.

Molecular Properties

Compound Name2-fluoro-1-N-(4-methoxybutan-2-yl)benzene-1,4-disulfonamide
PubChem CID62734262
Molecular FormulaC11H17FN2O5S2
Molecular Weight340.40 g/mol
Exact Mass340.06
IUPAC Name2-fluoro-1-N-(4-methoxybutan-2-yl)benzene-1,4-disulfonamide
SMILESCOCCC(C)NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C11H17FN2O5S2/c1-8(5-6-19-2)14-21(17,18)11-4-3-9(7-10(11)12)20(13,15)16/h3-4,7-8,14H,5-6H2,1-2H3,(H2,13,15,16)
InChIKeyIQMZZCKLIPRQKP-UHFFFAOYSA-N
XLogP0.18
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-butan-2-yl-2-fluorobenzene-1,4-disulfonamide
CID 47358633
4-amino-3-bromo-N-(4-methoxybutan-2-yl)benzenesulfonamide
CID 64601232
4-fluoro-N-(4-methoxybutan-2-yl)-3-(methylaminomethyl)benzenesulfonamide
CID 106067547
5-amino-2-bromo-N-(4-methoxybutan-2-yl)benzenesulfonamide
CID 65206608
3-amino-4-fluoro-N-(4-methoxybutan-2-yl)-2,6-dimethylbenzenesulfonamide
CID 107325879
6-amino-N-(4-methoxybutan-2-yl)pyridine-3-sulfonamide
CID 64602408
5-amino-2-ethyl-N-(4-methoxybutan-2-yl)benzenesulfonamide
CID 64602405
2-amino-6-fluoro-N-(4-methoxybutan-2-yl)benzenesulfonamide
CID 64602215
4-hydroxy-N-(4-methoxybutan-2-yl)-3-nitrobenzenesulfonamide
CID 64604894
2-fluoro-1-N-hex-5-yn-3-ylbenzene-1,4-disulfonamide
CID 115650539
3,4-difluoro-5-(4-methoxybutan-2-ylsulfamoyl)benzoic acid
CID 104654581
2,5-dibromo-N-(4-methoxybutan-2-yl)-4-methylbenzenesulfonamide
CID 80708118

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-N-(4-methoxybutan-2-yl)benzene-1,4-disulfonamide?
The IUPAC name of 2-fluoro-1-N-(4-methoxybutan-2-yl)benzene-1,4-disulfonamide (CID 62734262) is 2-fluoro-1-N-(4-methoxybutan-2-yl)benzene-1,4-disulfonamide.
What is the SMILES notation for 2-fluoro-1-N-(4-methoxybutan-2-yl)benzene-1,4-disulfonamide?
The canonical SMILES for 2-fluoro-1-N-(4-methoxybutan-2-yl)benzene-1,4-disulfonamide is COCCC(C)NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1F.
What is the InChIKey of 2-fluoro-1-N-(4-methoxybutan-2-yl)benzene-1,4-disulfonamide?
The InChIKey is IQMZZCKLIPRQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O5S2/c1-8(5-6-19-2)14-21(17,18)11-4-3-9(7-10(11)12)20(13,15)16/h3-4,7-8,14H,5-6H2,1-2H3,(H2,13,15,16).
What are the key properties of 2-fluoro-1-N-(4-methoxybutan-2-yl)benzene-1,4-disulfonamide?
2-fluoro-1-N-(4-methoxybutan-2-yl)benzene-1,4-disulfonamide has a molecular weight of 340.40 g/mol, XLogP of 0.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-N-(4-methoxybutan-2-yl)benzene-1,4-disulfonamide is sourced from PubChem (CID 62734262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).