2-amino-3-(2,3-dimethylbutylamino)benzenesulfonamide

C12H21N3O2S — CID 112674946

IUPAC2-amino-3-(2,3-dimethylbutylamino)benzenesulfonamide
SMILESCC(C)C(C)CNc1cccc(S(N)(=O)=O)c1N
InChIInChI=1S/C12H21N3O2S/c1-8(2)9(3)7-15-10-5-4-6-11(12(10)13)18(14,16)17/h4-6,8-9,15H,7,13H2,1-3H3,(H2,14,16,17)
InChIKeyCGXHOGDFBLUGFO-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.62
Rot. Bonds5

About 2-amino-3-(2,3-dimethylbutylamino)benzenesulfonamide

2-amino-3-(2,3-dimethylbutylamino)benzenesulfonamide (PubChem CID 112674946) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 2-amino-3-(2,3-dimethylbutylamino)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-3-(2,3-dimethylbutylamino)benzenesulfonamide
PubChem CID112674946
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name2-amino-3-(2,3-dimethylbutylamino)benzenesulfonamide
SMILESCC(C)C(C)CNc1cccc(S(N)(=O)=O)c1N
InChIInChI=1S/C12H21N3O2S/c1-8(2)9(3)7-15-10-5-4-6-11(12(10)13)18(14,16)17/h4-6,8-9,15H,7,13H2,1-3H3,(H2,14,16,17)
InChIKeyCGXHOGDFBLUGFO-UHFFFAOYSA-N
XLogP1.62
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-[(3-methyl-2-propan-2-ylbutyl)amino]benzenesulfonamide
CID 102903616
2-amino-3-[(3-ethyl-2-hydroxypentyl)amino]benzenesulfonamide
CID 106284293
2-amino-3-[3-[methyl(propan-2-yl)amino]propylamino]benzenesulfonamide
CID 106036483
2-amino-3-(2-methylsulfanylethylamino)benzenesulfonamide
CID 112674920
2-amino-3-(tert-butylamino)benzenesulfonamide
CID 112674632
2-(2,3-dimethylbutylamino)-N-methylbenzenesulfonamide
CID 64596946
2-N-(2,3-dimethylbutyl)benzene-1,2-disulfonamide
CID 64596836
3-amino-4-(2,3-dimethylbutylamino)benzenesulfonamide
CID 64568212
2-amino-3-[[2-(dimethylamino)-2-methylpropyl]amino]benzenesulfonamide
CID 112674811
2-(2-amino-3-sulfamoylanilino)-N-methylacetamide
CID 112674675
2-amino-3-[(2-ethylphenyl)methylamino]benzenesulfonamide
CID 115992788
2-amino-3-(3-methylsulfanylpropylamino)benzenesulfonamide
CID 112674921

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,3-dimethylbutylamino)benzenesulfonamide?
The IUPAC name of 2-amino-3-(2,3-dimethylbutylamino)benzenesulfonamide (CID 112674946) is 2-amino-3-(2,3-dimethylbutylamino)benzenesulfonamide.
What is the SMILES notation for 2-amino-3-(2,3-dimethylbutylamino)benzenesulfonamide?
The canonical SMILES for 2-amino-3-(2,3-dimethylbutylamino)benzenesulfonamide is CC(C)C(C)CNc1cccc(S(N)(=O)=O)c1N.
What is the InChIKey of 2-amino-3-(2,3-dimethylbutylamino)benzenesulfonamide?
The InChIKey is CGXHOGDFBLUGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-8(2)9(3)7-15-10-5-4-6-11(12(10)13)18(14,16)17/h4-6,8-9,15H,7,13H2,1-3H3,(H2,14,16,17).
What are the key properties of 2-amino-3-(2,3-dimethylbutylamino)benzenesulfonamide?
2-amino-3-(2,3-dimethylbutylamino)benzenesulfonamide has a molecular weight of 271.39 g/mol, XLogP of 1.62, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2,3-dimethylbutylamino)benzenesulfonamide is sourced from PubChem (CID 112674946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).