2-amino-N-(3-ethylpentan-2-yl)-4,5-dimethylbenzenesulfonamide

C15H26N2O2S — CID 63842393

IUPAC2-amino-N-(3-ethylpentan-2-yl)-4,5-dimethylbenzenesulfonamide
SMILESCCC(CC)C(C)NS(=O)(=O)c1cc(C)c(C)cc1N
InChIInChI=1S/C15H26N2O2S/c1-6-13(7-2)12(5)17-20(18,19)15-9-11(4)10(3)8-14(15)16/h8-9,12-13,17H,6-7,16H2,1-5H3
InChIKeyZYDRTBGDIFVCRI-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.99
Rot. Bonds6

About 2-amino-N-(3-ethylpentan-2-yl)-4,5-dimethylbenzenesulfonamide

2-amino-N-(3-ethylpentan-2-yl)-4,5-dimethylbenzenesulfonamide (PubChem CID 63842393) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 2-amino-N-(3-ethylpentan-2-yl)-4,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(3-ethylpentan-2-yl)-4,5-dimethylbenzenesulfonamide
PubChem CID63842393
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name2-amino-N-(3-ethylpentan-2-yl)-4,5-dimethylbenzenesulfonamide
SMILESCCC(CC)C(C)NS(=O)(=O)c1cc(C)c(C)cc1N
InChIInChI=1S/C15H26N2O2S/c1-6-13(7-2)12(5)17-20(18,19)15-9-11(4)10(3)8-14(15)16/h8-9,12-13,17H,6-7,16H2,1-5H3
InChIKeyZYDRTBGDIFVCRI-UHFFFAOYSA-N
XLogP2.99
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.99
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-5-bromo-N-(3-ethylpentan-2-yl)-4-fluorobenzenesulfonamide
CID 106491799
2-amino-4,5-dimethyl-N-(2-methylbutyl)benzenesulfonamide
CID 62699271
2-amino-4,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide
CID 30057072
3-amino-N-(3-ethylpentan-2-yl)-5-fluoro-4-methylbenzenesulfonamide
CID 116791888
5-(aminomethyl)-2-bromo-N-(3-ethylpentan-2-yl)-3-methylbenzenesulfonamide
CID 106063379
2-amino-4,5-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 61471899
2-amino-4,5-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106327922
3-amino-N-(3-ethylpentan-2-yl)-4-fluorobenzenesulfonamide
CID 63841716
4-(aminomethyl)-N-(3-ethylpentan-2-yl)-3-methylbenzenesulfonamide
CID 106919419
3-(aminomethyl)-N-(3-ethylpentan-2-yl)-4-methylbenzenesulfonamide
CID 106063338
5-amino-2,3-dimethyl-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 61463662
5-amino-2-ethoxy-N-(3-ethylpentan-2-yl)benzenesulfonamide
CID 63836966

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-ethylpentan-2-yl)-4,5-dimethylbenzenesulfonamide?
The IUPAC name of 2-amino-N-(3-ethylpentan-2-yl)-4,5-dimethylbenzenesulfonamide (CID 63842393) is 2-amino-N-(3-ethylpentan-2-yl)-4,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(3-ethylpentan-2-yl)-4,5-dimethylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-(3-ethylpentan-2-yl)-4,5-dimethylbenzenesulfonamide is CCC(CC)C(C)NS(=O)(=O)c1cc(C)c(C)cc1N.
What is the InChIKey of 2-amino-N-(3-ethylpentan-2-yl)-4,5-dimethylbenzenesulfonamide?
The InChIKey is ZYDRTBGDIFVCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-6-13(7-2)12(5)17-20(18,19)15-9-11(4)10(3)8-14(15)16/h8-9,12-13,17H,6-7,16H2,1-5H3.
What are the key properties of 2-amino-N-(3-ethylpentan-2-yl)-4,5-dimethylbenzenesulfonamide?
2-amino-N-(3-ethylpentan-2-yl)-4,5-dimethylbenzenesulfonamide has a molecular weight of 298.45 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-ethylpentan-2-yl)-4,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 63842393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).