3-amino-2,5-diethyl-N-methyl-N-pentan-2-ylbenzenesulfonamide

C16H28N2O2S — CID 107405806

IUPAC3-amino-2,5-diethyl-N-methyl-N-pentan-2-ylbenzenesulfonamide
SMILESCCCC(C)N(C)S(=O)(=O)c1cc(CC)cc(N)c1CC
InChIInChI=1S/C16H28N2O2S/c1-6-9-12(4)18(5)21(19,20)16-11-13(7-2)10-15(17)14(16)8-3/h10-12H,6-9,17H2,1-5H3
InChIKeyHRPIBHCUVYEEPG-UHFFFAOYSA-N
MW312.48 g/mol
LogP3.20
Rot. Bonds7

About 3-amino-2,5-diethyl-N-methyl-N-pentan-2-ylbenzenesulfonamide

3-amino-2,5-diethyl-N-methyl-N-pentan-2-ylbenzenesulfonamide (PubChem CID 107405806) has the molecular formula C16H28N2O2S and a molecular weight of 312.48 g/mol. Its IUPAC name is 3-amino-2,5-diethyl-N-methyl-N-pentan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-2,5-diethyl-N-methyl-N-pentan-2-ylbenzenesulfonamide
PubChem CID107405806
Molecular FormulaC16H28N2O2S
Molecular Weight312.48 g/mol
Exact Mass312.19
IUPAC Name3-amino-2,5-diethyl-N-methyl-N-pentan-2-ylbenzenesulfonamide
SMILESCCCC(C)N(C)S(=O)(=O)c1cc(CC)cc(N)c1CC
InChIInChI=1S/C16H28N2O2S/c1-6-9-12(4)18(5)21(19,20)16-11-13(7-2)10-15(17)14(16)8-3/h10-12H,6-9,17H2,1-5H3
InChIKeyHRPIBHCUVYEEPG-UHFFFAOYSA-N
XLogP3.20
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2,5-diethyl-N-methyl-N-pentan-2-ylbenzenesulfonamide?
The IUPAC name of 3-amino-2,5-diethyl-N-methyl-N-pentan-2-ylbenzenesulfonamide (CID 107405806) is 3-amino-2,5-diethyl-N-methyl-N-pentan-2-ylbenzenesulfonamide.
What is the SMILES notation for 3-amino-2,5-diethyl-N-methyl-N-pentan-2-ylbenzenesulfonamide?
The canonical SMILES for 3-amino-2,5-diethyl-N-methyl-N-pentan-2-ylbenzenesulfonamide is CCCC(C)N(C)S(=O)(=O)c1cc(CC)cc(N)c1CC.
What is the InChIKey of 3-amino-2,5-diethyl-N-methyl-N-pentan-2-ylbenzenesulfonamide?
The InChIKey is HRPIBHCUVYEEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2S/c1-6-9-12(4)18(5)21(19,20)16-11-13(7-2)10-15(17)14(16)8-3/h10-12H,6-9,17H2,1-5H3.
What are the key properties of 3-amino-2,5-diethyl-N-methyl-N-pentan-2-ylbenzenesulfonamide?
3-amino-2,5-diethyl-N-methyl-N-pentan-2-ylbenzenesulfonamide has a molecular weight of 312.48 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,5-diethyl-N-methyl-N-pentan-2-ylbenzenesulfonamide is sourced from PubChem (CID 107405806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).