4-N-(2-ethylbutyl)benzene-1,4-disulfonamide

C12H20N2O4S2 — CID 115613409

IUPAC4-N-(2-ethylbutyl)benzene-1,4-disulfonamide
SMILESCCC(CC)CNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H20N2O4S2/c1-3-10(4-2)9-14-20(17,18)12-7-5-11(6-8-12)19(13,15)16/h5-8,10,14H,3-4,9H2,1-2H3,(H2,13,15,16)
InChIKeyOGWBRXOIJMDYGA-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.05
Rot. Bonds7

About 4-N-(2-ethylbutyl)benzene-1,4-disulfonamide

4-N-(2-ethylbutyl)benzene-1,4-disulfonamide (PubChem CID 115613409) has the molecular formula C12H20N2O4S2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 4-N-(2-ethylbutyl)benzene-1,4-disulfonamide.

Molecular Properties

Compound Name4-N-(2-ethylbutyl)benzene-1,4-disulfonamide
PubChem CID115613409
Molecular FormulaC12H20N2O4S2
Molecular Weight320.44 g/mol
Exact Mass320.09
IUPAC Name4-N-(2-ethylbutyl)benzene-1,4-disulfonamide
SMILESCCC(CC)CNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H20N2O4S2/c1-3-10(4-2)9-14-20(17,18)12-7-5-11(6-8-12)19(13,15)16/h5-8,10,14H,3-4,9H2,1-2H3,(H2,13,15,16)
InChIKeyOGWBRXOIJMDYGA-UHFFFAOYSA-N
XLogP1.05
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylbutyl)-4-propylbenzenesulfonamide
CID 115613302
N-(2-ethylbutyl)-4-(trifluoromethyl)benzenesulfonamide
CID 115613428
4-N-(2-ethoxypropyl)benzene-1,4-disulfonamide
CID 115650655
N-(2-ethylbutyl)-3,4-dimethylbenzenesulfonamide
CID 84512808
6-chloro-N-(2-ethylbutyl)pyridine-3-sulfonamide
CID 115613422
4-(aminomethyl)-N-(2-ethylhexyl)benzenesulfonamide
CID 107816801
N-(2-ethylbutyl)-4-methoxy-3-methylbenzenesulfonamide
CID 115613367
4-[(2S)-butan-2-yl]-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 2524649
2-bromo-N-(2-ethylbutyl)benzenesulfonamide
CID 84548044
N-(2-aminopropyl)-4-butan-2-ylbenzenesulfonamide
CID 63733152
4-N-(2,2,3-trimethylbutyl)benzene-1,4-disulfonamide
CID 102609395
N-(2-ethylhexyl)-4-(methanesulfonamido)benzenesulfonamide
CID 20769759

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethylbutyl)benzene-1,4-disulfonamide?
The IUPAC name of 4-N-(2-ethylbutyl)benzene-1,4-disulfonamide (CID 115613409) is 4-N-(2-ethylbutyl)benzene-1,4-disulfonamide.
What is the SMILES notation for 4-N-(2-ethylbutyl)benzene-1,4-disulfonamide?
The canonical SMILES for 4-N-(2-ethylbutyl)benzene-1,4-disulfonamide is CCC(CC)CNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-N-(2-ethylbutyl)benzene-1,4-disulfonamide?
The InChIKey is OGWBRXOIJMDYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S2/c1-3-10(4-2)9-14-20(17,18)12-7-5-11(6-8-12)19(13,15)16/h5-8,10,14H,3-4,9H2,1-2H3,(H2,13,15,16).
What are the key properties of 4-N-(2-ethylbutyl)benzene-1,4-disulfonamide?
4-N-(2-ethylbutyl)benzene-1,4-disulfonamide has a molecular weight of 320.44 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethylbutyl)benzene-1,4-disulfonamide is sourced from PubChem (CID 115613409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).