2-amino-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide

C11H18N2O3S — CID 79248106

IUPAC2-amino-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
SMILESCC(C)C(CO)NS(=O)(=O)c1ccccc1N
InChIInChI=1S/C11H18N2O3S/c1-8(2)10(7-14)13-17(15,16)11-6-4-3-5-9(11)12/h3-6,8,10,13-14H,7,12H2,1-2H3
InChIKeyMUHTUVDFDVAVIN-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.56
Rot. Bonds5

About 2-amino-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide

2-amino-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide (PubChem CID 79248106) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-amino-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
PubChem CID79248106
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name2-amino-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
SMILESCC(C)C(CO)NS(=O)(=O)c1ccccc1N
InChIInChI=1S/C11H18N2O3S/c1-8(2)10(7-14)13-17(15,16)11-6-4-3-5-9(11)12/h3-6,8,10,13-14H,7,12H2,1-2H3
InChIKeyMUHTUVDFDVAVIN-UHFFFAOYSA-N
XLogP0.56
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.56
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

N-(1-hydroxy-3-methylbutan-2-yl)-2-methylbenzenesulfonamide
CID 79023963
2-amino-4-bromo-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 79247565
2-amino-5-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
CID 79248581
2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-6-methylbenzenesulfonamide
CID 79247641
N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 73191893
3-amino-2-methyl-N-(2-methylpentan-3-yl)benzenesulfonamide
CID 54955050
2-amino-N-(4-hydroxypentan-2-yl)benzenesulfonamide
CID 113375971
2-amino-N-(2-hydroxy-1-phenylethyl)benzenesulfonamide
CID 63182594
4-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylbenzenesulfonamide
CID 79248112
5-amino-2-bromo-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 79247723
5-amino-2-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
CID 79248425
4-amino-2-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
CID 79248195

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 2-amino-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide (CID 79248106) is 2-amino-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide is CC(C)C(CO)NS(=O)(=O)c1ccccc1N.
What is the InChIKey of 2-amino-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide?
The InChIKey is MUHTUVDFDVAVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-8(2)10(7-14)13-17(15,16)11-6-4-3-5-9(11)12/h3-6,8,10,13-14H,7,12H2,1-2H3.
What are the key properties of 2-amino-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide?
2-amino-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide has a molecular weight of 258.34 g/mol, XLogP of 0.56, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 79248106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).