4-[(1-hydroxy-2-methylbutan-2-yl)amino]-N-propan-2-ylbenzenesulfonamide

C14H24N2O3S — CID 64558207

IUPAC4-[(1-hydroxy-2-methylbutan-2-yl)amino]-N-propan-2-ylbenzenesulfonamide
SMILESCCC(C)(CO)Nc1ccc(S(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C14H24N2O3S/c1-5-14(4,10-17)15-12-6-8-13(9-7-12)20(18,19)16-11(2)3/h6-9,11,15-17H,5,10H2,1-4H3
InChIKeyIDGNDXHPRPDEON-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.95
Rot. Bonds7

About 4-[(1-hydroxy-2-methylbutan-2-yl)amino]-N-propan-2-ylbenzenesulfonamide

4-[(1-hydroxy-2-methylbutan-2-yl)amino]-N-propan-2-ylbenzenesulfonamide (PubChem CID 64558207) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 4-[(1-hydroxy-2-methylbutan-2-yl)amino]-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(1-hydroxy-2-methylbutan-2-yl)amino]-N-propan-2-ylbenzenesulfonamide
PubChem CID64558207
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name4-[(1-hydroxy-2-methylbutan-2-yl)amino]-N-propan-2-ylbenzenesulfonamide
SMILESCCC(C)(CO)Nc1ccc(S(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C14H24N2O3S/c1-5-14(4,10-17)15-12-6-8-13(9-7-12)20(18,19)16-11(2)3/h6-9,11,15-17H,5,10H2,1-4H3
InChIKeyIDGNDXHPRPDEON-UHFFFAOYSA-N
XLogP1.95
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide
CID 58611685
2-methyl-2-[4-(propan-2-ylsulfamoyl)anilino]propanamide
CID 61221166
4-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-methylbenzenesulfonamide
CID 106171205
N-ethyl-4-[(1-hydroxy-3-methylpentan-3-yl)amino]benzenesulfonamide
CID 106171712
2-(4-fluoroanilino)-2-methylbutan-1-ol
CID 61050548
4-(4-hydroxybutylamino)-N-propan-2-ylbenzenesulfonamide
CID 106842517
4-(ethylsulfonylamino)-N-propan-2-ylbenzenesulfonamide
CID 60656130
4-(butylamino)-N-propan-2-ylbenzenesulfonamide
CID 43383407
4-(2-aminopropylamino)-N-propan-2-ylbenzenesulfonamide
CID 63731923
2-amino-2-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide
CID 119685767
4-(pentan-2-ylamino)-N-propan-2-ylbenzenesulfonamide
CID 43454141
2-amino-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide
CID 61259711

Frequently Asked Questions

What is the IUPAC name of 4-[(1-hydroxy-2-methylbutan-2-yl)amino]-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-[(1-hydroxy-2-methylbutan-2-yl)amino]-N-propan-2-ylbenzenesulfonamide (CID 64558207) is 4-[(1-hydroxy-2-methylbutan-2-yl)amino]-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-[(1-hydroxy-2-methylbutan-2-yl)amino]-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-[(1-hydroxy-2-methylbutan-2-yl)amino]-N-propan-2-ylbenzenesulfonamide is CCC(C)(CO)Nc1ccc(S(=O)(=O)NC(C)C)cc1.
What is the InChIKey of 4-[(1-hydroxy-2-methylbutan-2-yl)amino]-N-propan-2-ylbenzenesulfonamide?
The InChIKey is IDGNDXHPRPDEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-5-14(4,10-17)15-12-6-8-13(9-7-12)20(18,19)16-11(2)3/h6-9,11,15-17H,5,10H2,1-4H3.
What are the key properties of 4-[(1-hydroxy-2-methylbutan-2-yl)amino]-N-propan-2-ylbenzenesulfonamide?
4-[(1-hydroxy-2-methylbutan-2-yl)amino]-N-propan-2-ylbenzenesulfonamide has a molecular weight of 300.42 g/mol, XLogP of 1.95, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-hydroxy-2-methylbutan-2-yl)amino]-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 64558207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).