2-amino-4,5-dimethyl-N-(2-methylbutyl)benzenesulfonamide

C13H22N2O2S — CID 62699271

IUPAC2-amino-4,5-dimethyl-N-(2-methylbutyl)benzenesulfonamide
SMILESCCC(C)CNS(=O)(=O)c1cc(C)c(C)cc1N
InChIInChI=1S/C13H22N2O2S/c1-5-9(2)8-15-18(16,17)13-7-11(4)10(3)6-12(13)14/h6-7,9,15H,5,8,14H2,1-4H3
InChIKeyFVOMJAFXVCQFFL-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.21
Rot. Bonds5

About 2-amino-4,5-dimethyl-N-(2-methylbutyl)benzenesulfonamide

2-amino-4,5-dimethyl-N-(2-methylbutyl)benzenesulfonamide (PubChem CID 62699271) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 2-amino-4,5-dimethyl-N-(2-methylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4,5-dimethyl-N-(2-methylbutyl)benzenesulfonamide
PubChem CID62699271
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name2-amino-4,5-dimethyl-N-(2-methylbutyl)benzenesulfonamide
SMILESCCC(C)CNS(=O)(=O)c1cc(C)c(C)cc1N
InChIInChI=1S/C13H22N2O2S/c1-5-9(2)8-15-18(16,17)13-7-11(4)10(3)6-12(13)14/h6-7,9,15H,5,8,14H2,1-4H3
InChIKeyFVOMJAFXVCQFFL-UHFFFAOYSA-N
XLogP2.21
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide
CID 30057072
5-amino-4-bromo-2-methyl-N-(2-methylbutyl)benzenesulfonamide
CID 114625611
2-amino-4-bromo-N-(2-methylbutyl)benzenesulfonamide
CID 62700584
2-amino-N-(3-ethylpentan-2-yl)-4,5-dimethylbenzenesulfonamide
CID 63842393
2-amino-N-(2-methylbutyl)benzenesulfonamide
CID 62699266
3-amino-4-fluoro-5-methyl-N-(2-methylbutyl)benzenesulfonamide
CID 115421550
2-amino-N-(2-methoxyethyl)-4,5-dimethylbenzenesulfonamide
CID 29054263
2-amino-4,5-dimethyl-N-(3-methylsulfonylpropyl)benzenesulfonamide
CID 61127178
3-amino-2,4-dichloro-N-(2-methylbutyl)benzenesulfonamide
CID 113469315
2-amino-4,5-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106327922
4-amino-2,6-dibromo-N-(2-methylbutyl)benzenesulfonamide
CID 62700585
2-amino-4,5-dimethyl-N-(3-propoxypropyl)benzenesulfonamide
CID 82949556

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,5-dimethyl-N-(2-methylbutyl)benzenesulfonamide?
The IUPAC name of 2-amino-4,5-dimethyl-N-(2-methylbutyl)benzenesulfonamide (CID 62699271) is 2-amino-4,5-dimethyl-N-(2-methylbutyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4,5-dimethyl-N-(2-methylbutyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4,5-dimethyl-N-(2-methylbutyl)benzenesulfonamide is CCC(C)CNS(=O)(=O)c1cc(C)c(C)cc1N.
What is the InChIKey of 2-amino-4,5-dimethyl-N-(2-methylbutyl)benzenesulfonamide?
The InChIKey is FVOMJAFXVCQFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-5-9(2)8-15-18(16,17)13-7-11(4)10(3)6-12(13)14/h6-7,9,15H,5,8,14H2,1-4H3.
What are the key properties of 2-amino-4,5-dimethyl-N-(2-methylbutyl)benzenesulfonamide?
2-amino-4,5-dimethyl-N-(2-methylbutyl)benzenesulfonamide has a molecular weight of 270.40 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,5-dimethyl-N-(2-methylbutyl)benzenesulfonamide is sourced from PubChem (CID 62699271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).