4-(2-amino-2-ethylbutoxy)-N-propan-2-ylbenzenesulfonamide

C15H26N2O3S — CID 64574697

IUPAC4-(2-amino-2-ethylbutoxy)-N-propan-2-ylbenzenesulfonamide
SMILESCCC(N)(CC)COc1ccc(S(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C15H26N2O3S/c1-5-15(16,6-2)11-20-13-7-9-14(10-8-13)21(18,19)17-12(3)4/h7-10,12,17H,5-6,11,16H2,1-4H3
InChIKeyXWKVWWBGXLPACR-UHFFFAOYSA-N
MW314.45 g/mol
LogP2.27
Rot. Bonds8

About 4-(2-amino-2-ethylbutoxy)-N-propan-2-ylbenzenesulfonamide

4-(2-amino-2-ethylbutoxy)-N-propan-2-ylbenzenesulfonamide (PubChem CID 64574697) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is 4-(2-amino-2-ethylbutoxy)-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2-amino-2-ethylbutoxy)-N-propan-2-ylbenzenesulfonamide
PubChem CID64574697
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC Name4-(2-amino-2-ethylbutoxy)-N-propan-2-ylbenzenesulfonamide
SMILESCCC(N)(CC)COc1ccc(S(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C15H26N2O3S/c1-5-15(16,6-2)11-20-13-7-9-14(10-8-13)21(18,19)17-12(3)4/h7-10,12,17H,5-6,11,16H2,1-4H3
InChIKeyXWKVWWBGXLPACR-UHFFFAOYSA-N
XLogP2.27
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-propan-2-yl-4-[2-(propylamino)ethoxy]benzenesulfonamide
CID 62349082
4-(2-amino-2-methylbutoxy)-N-methylbenzenesulfonamide
CID 64574284
4-ethoxy-N-pentan-2-ylbenzenesulfonamide
CID 2957183
N-[1-(4-butan-2-ylphenyl)ethyl]-4-ethoxybenzenesulfonamide
CID 22204718
2-[4-(3,3-dimethylbutan-2-ylsulfamoyl)phenoxy]acetic acid
CID 104827593
N-(2-amino-2-ethylbutyl)-4-(2-ethylsulfonylethoxy)benzenesulfonamide
CID 119989827
6-(4-ethoxyanilino)-N-propan-2-ylpyridine-3-sulfonamide
CID 25465799
4-(ethylsulfonylamino)-N-propan-2-ylbenzenesulfonamide
CID 60656130
ethyl 2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetate
CID 893339
(4-ethylphenyl) 4-(propan-2-ylsulfamoyl)benzoate
CID 16592113
N-(2-amino-2-ethylbutyl)-4-(2-ethoxyethoxy)benzenesulfonamide
CID 119990079
2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetate
CID 6957905

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-ethylbutoxy)-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-(2-amino-2-ethylbutoxy)-N-propan-2-ylbenzenesulfonamide (CID 64574697) is 4-(2-amino-2-ethylbutoxy)-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-(2-amino-2-ethylbutoxy)-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-(2-amino-2-ethylbutoxy)-N-propan-2-ylbenzenesulfonamide is CCC(N)(CC)COc1ccc(S(=O)(=O)NC(C)C)cc1.
What is the InChIKey of 4-(2-amino-2-ethylbutoxy)-N-propan-2-ylbenzenesulfonamide?
The InChIKey is XWKVWWBGXLPACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-5-15(16,6-2)11-20-13-7-9-14(10-8-13)21(18,19)17-12(3)4/h7-10,12,17H,5-6,11,16H2,1-4H3.
What are the key properties of 4-(2-amino-2-ethylbutoxy)-N-propan-2-ylbenzenesulfonamide?
4-(2-amino-2-ethylbutoxy)-N-propan-2-ylbenzenesulfonamide has a molecular weight of 314.45 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-ethylbutoxy)-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 64574697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).