3-amino-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide

C12H20N2O3S — CID 61242032

IUPAC3-amino-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide
SMILESCC(C)CC(CO)NS(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C12H20N2O3S/c1-9(2)6-11(8-15)14-18(16,17)12-5-3-4-10(13)7-12/h3-5,7,9,11,14-15H,6,8,13H2,1-2H3
InChIKeyQILCFRMICYGYPP-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.95
Rot. Bonds6

About 3-amino-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide

3-amino-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide (PubChem CID 61242032) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 3-amino-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide
PubChem CID61242032
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name3-amino-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide
SMILESCC(C)CC(CO)NS(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C12H20N2O3S/c1-9(2)6-11(8-15)14-18(16,17)12-5-3-4-10(13)7-12/h3-5,7,9,11,14-15H,6,8,13H2,1-2H3
InChIKeyQILCFRMICYGYPP-UHFFFAOYSA-N
XLogP0.95
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 ≤ 50.95
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

3-amino-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 104868507
4-bromo-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzenesulfonamide
CID 10472170
N-(1-hydroxy-4-methylpentan-2-yl)-4-iodobenzenesulfonamide
CID 61247517
3-amino-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 54950145
3-amino-N-(1-cyclopropylbutan-2-yl)benzenesulfonamide
CID 63995414
3-amino-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 30079896
N-(1-hydroxy-4-methylpentan-2-yl)-4-propylbenzenesulfonamide
CID 61246381
N-(1-amino-4-methylpentan-2-yl)-3-ethylbenzenesulfonamide;hydrochloride
CID 119983421
2-[4-[(1-hydroxy-4-methylpentan-2-yl)sulfamoyl]phenyl]acetic acid
CID 61245697
3-amino-N-(1-hydroxy-4-methylpentan-2-yl)-2,5-dimethylbenzenesulfonamide
CID 79889407
N-(1-amino-4-methylpentan-2-yl)-3-(methoxymethyl)benzenesulfonamide;hydrochloride
CID 119983345
3-amino-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 43498666

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide?
The IUPAC name of 3-amino-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide (CID 61242032) is 3-amino-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide is CC(C)CC(CO)NS(=O)(=O)c1cccc(N)c1.
What is the InChIKey of 3-amino-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide?
The InChIKey is QILCFRMICYGYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-9(2)6-11(8-15)14-18(16,17)12-5-3-4-10(13)7-12/h3-5,7,9,11,14-15H,6,8,13H2,1-2H3.
What are the key properties of 3-amino-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide?
3-amino-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.95, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide is sourced from PubChem (CID 61242032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).