2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-propan-2-ylbenzenesulfonamide

C13H22N2O3S — CID 43500172

IUPAC2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccccc1NC(C)(C)CO
InChIInChI=1S/C13H22N2O3S/c1-10(2)15-19(17,18)12-8-6-5-7-11(12)14-13(3,4)9-16/h5-8,10,14-16H,9H2,1-4H3
InChIKeyQCKKMIIHBJRIJE-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.56
Rot. Bonds6

About 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-propan-2-ylbenzenesulfonamide

2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-propan-2-ylbenzenesulfonamide (PubChem CID 43500172) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-propan-2-ylbenzenesulfonamide
PubChem CID43500172
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccccc1NC(C)(C)CO
InChIInChI=1S/C13H22N2O3S/c1-10(2)15-19(17,18)12-8-6-5-7-11(12)14-13(3,4)9-16/h5-8,10,14-16H,9H2,1-4H3
InChIKeyQCKKMIIHBJRIJE-UHFFFAOYSA-N
XLogP1.56
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethylsulfonylanilino)-2-methylpropan-1-ol
CID 43500186
2-methyl-2-[2-(propan-2-ylsulfamoyl)anilino]butanoic acid
CID 79790485
2-(5-hydroxypentylamino)-N-propan-2-ylbenzenesulfonamide
CID 107318077
2-hydroxy-3-[2-(propan-2-ylsulfamoyl)anilino]propanamide
CID 106170761
2,2-dimethyl-3-[2-(propan-2-ylsulfamoyl)anilino]propanamide
CID 106277873
N-propan-2-yl-2-[2-(propan-2-ylamino)ethylamino]benzenesulfonamide
CID 62663937
2-(pentan-3-ylamino)-N-propan-2-ylbenzenesulfonamide
CID 43454588
2-(2,2-difluoroethylamino)-N-propan-2-ylbenzenesulfonamide
CID 113303827
2-[(3-chloro-2-hydroxypropyl)amino]-N-propan-2-ylbenzenesulfonamide
CID 168641055
2-(3,3-dimethyl-2-oxobutyl)-N-propan-2-ylbenzenesulfonamide
CID 63199010
2-(2-methoxyethylamino)-N-propan-2-ylbenzenesulfonamide
CID 43383470
N-cyclopropyl-2-[2-(propan-2-ylsulfamoyl)anilino]acetamide
CID 43568444

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-propan-2-ylbenzenesulfonamide (CID 43500172) is 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-propan-2-ylbenzenesulfonamide is CC(C)NS(=O)(=O)c1ccccc1NC(C)(C)CO.
What is the InChIKey of 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-propan-2-ylbenzenesulfonamide?
The InChIKey is QCKKMIIHBJRIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-10(2)15-19(17,18)12-8-6-5-7-11(12)14-13(3,4)9-16/h5-8,10,14-16H,9H2,1-4H3.
What are the key properties of 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-propan-2-ylbenzenesulfonamide?
2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-propan-2-ylbenzenesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.56, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 43500172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).