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

C12H20N2O4S2 — CID 64596836

IUPAC2-N-(2,3-dimethylbutyl)benzene-1,2-disulfonamide
SMILESCC(C)C(C)CNS(=O)(=O)c1ccccc1S(N)(=O)=O
InChIInChI=1S/C12H20N2O4S2/c1-9(2)10(3)8-14-20(17,18)12-7-5-4-6-11(12)19(13,15)16/h4-7,9-10,14H,8H2,1-3H3,(H2,13,15,16)
InChIKeyDXCZDRGALKGWLG-UHFFFAOYSA-N
MW320.44 g/mol
LogP0.90
Rot. Bonds6

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

2-N-(2,3-dimethylbutyl)benzene-1,2-disulfonamide (PubChem CID 64596836) has the molecular formula C12H20N2O4S2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-N-(2,3-dimethylbutyl)benzene-1,2-disulfonamide.

Molecular Properties

Compound Name2-N-(2,3-dimethylbutyl)benzene-1,2-disulfonamide
PubChem CID64596836
Molecular FormulaC12H20N2O4S2
Molecular Weight320.44 g/mol
Exact Mass320.09
IUPAC Name2-N-(2,3-dimethylbutyl)benzene-1,2-disulfonamide
SMILESCC(C)C(C)CNS(=O)(=O)c1ccccc1S(N)(=O)=O
InChIInChI=1S/C12H20N2O4S2/c1-9(2)10(3)8-14-20(17,18)12-7-5-4-6-11(12)19(13,15)16/h4-7,9-10,14H,8H2,1-3H3,(H2,13,15,16)
InChIKeyDXCZDRGALKGWLG-UHFFFAOYSA-N
XLogP0.90
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylbutyl)-2-fluorobenzenesulfonamide
CID 64570507
2-amino-3-(2,3-dimethylbutylamino)benzenesulfonamide
CID 112674946
3-(2,3-dimethylbutylsulfamoyl)-2-methylbenzoic acid
CID 64570035
N-(2-methylpropyl)-2-methylsulfonylbenzenesulfonamide
CID 86922498
2-amino-N-(2-methylpropyl)benzenesulfonamide
CID 16787736
2-amino-4-chloro-N-(2,3-dimethylbutyl)benzenesulfonamide
CID 64569599
2-amino-N-(2,3-dimethylbutyl)-4-fluorobenzenesulfonamide
CID 64568404
4-amino-2-chloro-N-(2,3-dimethylbutyl)benzenesulfonamide
CID 64569597
N-(3-amino-2-methylpropyl)-2-bromobenzenesulfonamide
CID 115271580
2-N-[(E)-pent-3-enyl]benzene-1,2-disulfonamide
CID 113465908
2,5-dibromo-N-(2,3-dimethylbutyl)-4-methylbenzenesulfonamide
CID 81424081
4-(aminomethyl)-N-(2,3-dimethylbutyl)-2-fluorobenzenesulfonamide
CID 79190769

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,3-dimethylbutyl)benzene-1,2-disulfonamide?
The IUPAC name of 2-N-(2,3-dimethylbutyl)benzene-1,2-disulfonamide (CID 64596836) is 2-N-(2,3-dimethylbutyl)benzene-1,2-disulfonamide.
What is the SMILES notation for 2-N-(2,3-dimethylbutyl)benzene-1,2-disulfonamide?
The canonical SMILES for 2-N-(2,3-dimethylbutyl)benzene-1,2-disulfonamide is CC(C)C(C)CNS(=O)(=O)c1ccccc1S(N)(=O)=O.
What is the InChIKey of 2-N-(2,3-dimethylbutyl)benzene-1,2-disulfonamide?
The InChIKey is DXCZDRGALKGWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S2/c1-9(2)10(3)8-14-20(17,18)12-7-5-4-6-11(12)19(13,15)16/h4-7,9-10,14H,8H2,1-3H3,(H2,13,15,16).
What are the key properties of 2-N-(2,3-dimethylbutyl)benzene-1,2-disulfonamide?
2-N-(2,3-dimethylbutyl)benzene-1,2-disulfonamide has a molecular weight of 320.44 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,3-dimethylbutyl)benzene-1,2-disulfonamide is sourced from PubChem (CID 64596836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).