5-amino-2-ethyl-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide

C12H20N2O3S — CID 93081188

IUPAC5-amino-2-ethyl-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
SMILESCCc1ccc(N)cc1S(=O)(=O)N[C@H](CC)CO
InChIInChI=1S/C12H20N2O3S/c1-3-9-5-6-10(13)7-12(9)18(16,17)14-11(4-2)8-15/h5-7,11,14-15H,3-4,8,13H2,1-2H3/t11-/m1/s1
InChIKeyPTAOJJSLWSHGNM-LLVKDONJSA-N
MW272.37 g/mol
LogP0.88
Rot. Bonds6

About 5-amino-2-ethyl-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide

5-amino-2-ethyl-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide (PubChem CID 93081188) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 5-amino-2-ethyl-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-ethyl-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
PubChem CID93081188
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name5-amino-2-ethyl-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
SMILESCCc1ccc(N)cc1S(=O)(=O)N[C@H](CC)CO
InChIInChI=1S/C12H20N2O3S/c1-3-9-5-6-10(13)7-12(9)18(16,17)14-11(4-2)8-15/h5-7,11,14-15H,3-4,8,13H2,1-2H3/t11-/m1/s1
InChIKeyPTAOJJSLWSHGNM-LLVKDONJSA-N
XLogP0.88
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-ethyl-N-pentan-3-ylbenzenesulfonamide
CID 43255687
5-amino-2-fluoro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 93081189
4-amino-2-(1-hydroxybutan-2-ylsulfamoyl)benzoic acid
CID 102930934
4-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methoxybenzenesulfonamide
CID 93081166
4-amino-N-[(2S)-1-hydroxybutan-2-yl]-2-methoxybenzenesulfonamide
CID 93081165
5-amino-N-[(2R)-1-hydroxybutan-2-yl]-2,3-dimethylbenzenesulfonamide
CID 93081202
3-amino-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 104868507
2-amino-N-(1-hydroxybutan-2-yl)-4-methylbenzenesulfonamide
CID 43498596
2-amino-4-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 93081228
5-amino-2-fluoro-N-[(2S)-1-hydroxybutan-2-yl]-4-methylbenzenesulfonamide
CID 107213678
5-amino-2-ethyl-N-(4-methoxybutan-2-yl)benzenesulfonamide
CID 64602405
5-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-ethylbenzenesulfonamide
CID 61476241

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-ethyl-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide?
The IUPAC name of 5-amino-2-ethyl-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide (CID 93081188) is 5-amino-2-ethyl-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide.
What is the SMILES notation for 5-amino-2-ethyl-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide?
The canonical SMILES for 5-amino-2-ethyl-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide is CCc1ccc(N)cc1S(=O)(=O)N[C@H](CC)CO.
What is the InChIKey of 5-amino-2-ethyl-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide?
The InChIKey is PTAOJJSLWSHGNM-LLVKDONJSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-3-9-5-6-10(13)7-12(9)18(16,17)14-11(4-2)8-15/h5-7,11,14-15H,3-4,8,13H2,1-2H3/t11-/m1/s1.
What are the key properties of 5-amino-2-ethyl-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide?
5-amino-2-ethyl-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.88, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-ethyl-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide is sourced from PubChem (CID 93081188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).