4-[3-(ethylamino)butan-2-yl]-N-propan-2-ylbenzenesulfonamide

C15H26N2O2S — CID 63200044

IUPAC4-[3-(ethylamino)butan-2-yl]-N-propan-2-ylbenzenesulfonamide
SMILESCCNC(C)C(C)c1ccc(S(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C15H26N2O2S/c1-6-16-13(5)12(4)14-7-9-15(10-8-14)20(18,19)17-11(2)3/h7-13,16-17H,6H2,1-5H3
InChIKeyRGWUEFIZECIHPL-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.47
Rot. Bonds7

About 4-[3-(ethylamino)butan-2-yl]-N-propan-2-ylbenzenesulfonamide

4-[3-(ethylamino)butan-2-yl]-N-propan-2-ylbenzenesulfonamide (PubChem CID 63200044) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 4-[3-(ethylamino)butan-2-yl]-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[3-(ethylamino)butan-2-yl]-N-propan-2-ylbenzenesulfonamide
PubChem CID63200044
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name4-[3-(ethylamino)butan-2-yl]-N-propan-2-ylbenzenesulfonamide
SMILESCCNC(C)C(C)c1ccc(S(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C15H26N2O2S/c1-6-16-13(5)12(4)14-7-9-15(10-8-14)20(18,19)17-11(2)3/h7-13,16-17H,6H2,1-5H3
InChIKeyRGWUEFIZECIHPL-UHFFFAOYSA-N
XLogP2.47
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(propan-2-ylsulfamoyl)phenyl]butanoic acid
CID 113428098
N-ethyl-4-[3-(ethylamino)pentan-2-yl]benzenesulfonamide
CID 63561329
4-(ethylsulfonylamino)-N-propan-2-ylbenzenesulfonamide
CID 60656130
4-(propan-2-ylsulfamoyl)benzenesulfonyl fluoride
CID 114958107
4-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide
CID 19681167
4-propanoyl-N-propan-2-ylbenzenesulfonamide
CID 70931286
N-ethyl-3-(4-propan-2-ylphenyl)sulfonylbutan-2-amine
CID 64639394
4-(1-cyano-2-hydroxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 55163674
4-butan-2-yl-N-methylbenzenesulfonamide
CID 19684297
N-propyl-3-[4-(trifluoromethylsulfonyl)phenyl]butan-2-amine
CID 63200096
4-(pentan-2-ylamino)-N-propan-2-ylbenzenesulfonamide
CID 43454141
4-[2-(ethylamino)pentan-3-yl]benzenesulfonamide
CID 55162014

Frequently Asked Questions

What is the IUPAC name of 4-[3-(ethylamino)butan-2-yl]-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-[3-(ethylamino)butan-2-yl]-N-propan-2-ylbenzenesulfonamide (CID 63200044) is 4-[3-(ethylamino)butan-2-yl]-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-[3-(ethylamino)butan-2-yl]-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-[3-(ethylamino)butan-2-yl]-N-propan-2-ylbenzenesulfonamide is CCNC(C)C(C)c1ccc(S(=O)(=O)NC(C)C)cc1.
What is the InChIKey of 4-[3-(ethylamino)butan-2-yl]-N-propan-2-ylbenzenesulfonamide?
The InChIKey is RGWUEFIZECIHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-6-16-13(5)12(4)14-7-9-15(10-8-14)20(18,19)17-11(2)3/h7-13,16-17H,6H2,1-5H3.
What are the key properties of 4-[3-(ethylamino)butan-2-yl]-N-propan-2-ylbenzenesulfonamide?
4-[3-(ethylamino)butan-2-yl]-N-propan-2-ylbenzenesulfonamide has a molecular weight of 298.45 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(ethylamino)butan-2-yl]-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 63200044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).