5-amino-N-[(2R)-1-hydroxybutan-2-yl]-2,3-dimethylbenzenesulfonamide

C12H20N2O3S — CID 93081202

IUPAC5-amino-N-[(2R)-1-hydroxybutan-2-yl]-2,3-dimethylbenzenesulfonamide
SMILESCC[C@H](CO)NS(=O)(=O)c1cc(N)cc(C)c1C
InChIInChI=1S/C12H20N2O3S/c1-4-11(7-15)14-18(16,17)12-6-10(13)5-8(2)9(12)3/h5-6,11,14-15H,4,7,13H2,1-3H3/t11-/m1/s1
InChIKeyYUIPYQDQUCBAFG-LLVKDONJSA-N
MW272.37 g/mol
LogP0.93
Rot. Bonds5

About 5-amino-N-[(2R)-1-hydroxybutan-2-yl]-2,3-dimethylbenzenesulfonamide

5-amino-N-[(2R)-1-hydroxybutan-2-yl]-2,3-dimethylbenzenesulfonamide (PubChem CID 93081202) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 5-amino-N-[(2R)-1-hydroxybutan-2-yl]-2,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-[(2R)-1-hydroxybutan-2-yl]-2,3-dimethylbenzenesulfonamide
PubChem CID93081202
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name5-amino-N-[(2R)-1-hydroxybutan-2-yl]-2,3-dimethylbenzenesulfonamide
SMILESCC[C@H](CO)NS(=O)(=O)c1cc(N)cc(C)c1C
InChIInChI=1S/C12H20N2O3S/c1-4-11(7-15)14-18(16,17)12-6-10(13)5-8(2)9(12)3/h5-6,11,14-15H,4,7,13H2,1-3H3/t11-/m1/s1
InChIKeyYUIPYQDQUCBAFG-LLVKDONJSA-N
XLogP0.93
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.93
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-fluoro-N-[(2S)-1-hydroxybutan-2-yl]-4-methylbenzenesulfonamide
CID 107213678
5-amino-2-fluoro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 93081189
5-amino-2-ethyl-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 93081188
5-amino-2,3-dimethyl-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 61463662
2-amino-N-(1-hydroxybutan-2-yl)-4-methylbenzenesulfonamide
CID 43498596
4-amino-2-(1-hydroxybutan-2-ylsulfamoyl)benzoic acid
CID 102930934
4-amino-2,6-dibromo-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 93081162
4-amino-2,6-dichloro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 93081169
5-amino-N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dimethylbenzenesulfonamide
CID 106348013
2,5-dibromo-N-[(2S)-1-hydroxybutan-2-yl]-4-methylbenzenesulfonamide
CID 104981937
4-fluoro-N-[(2S)-1-hydroxybutan-2-yl]-2-methylbenzenesulfonamide
CID 93084017
4-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methoxybenzenesulfonamide
CID 93081166

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(2R)-1-hydroxybutan-2-yl]-2,3-dimethylbenzenesulfonamide?
The IUPAC name of 5-amino-N-[(2R)-1-hydroxybutan-2-yl]-2,3-dimethylbenzenesulfonamide (CID 93081202) is 5-amino-N-[(2R)-1-hydroxybutan-2-yl]-2,3-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-[(2R)-1-hydroxybutan-2-yl]-2,3-dimethylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-[(2R)-1-hydroxybutan-2-yl]-2,3-dimethylbenzenesulfonamide is CC[C@H](CO)NS(=O)(=O)c1cc(N)cc(C)c1C.
What is the InChIKey of 5-amino-N-[(2R)-1-hydroxybutan-2-yl]-2,3-dimethylbenzenesulfonamide?
The InChIKey is YUIPYQDQUCBAFG-LLVKDONJSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-4-11(7-15)14-18(16,17)12-6-10(13)5-8(2)9(12)3/h5-6,11,14-15H,4,7,13H2,1-3H3/t11-/m1/s1.
What are the key properties of 5-amino-N-[(2R)-1-hydroxybutan-2-yl]-2,3-dimethylbenzenesulfonamide?
5-amino-N-[(2R)-1-hydroxybutan-2-yl]-2,3-dimethylbenzenesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.93, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(2R)-1-hydroxybutan-2-yl]-2,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 93081202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).