N-(1-hydroxy-3-methylpentan-3-yl)-4-propan-2-ylbenzenesulfonamide

C15H25NO3S — CID 106169794

IUPACN-(1-hydroxy-3-methylpentan-3-yl)-4-propan-2-ylbenzenesulfonamide
SMILESCCC(C)(CCO)NS(=O)(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C15H25NO3S/c1-5-15(4,10-11-17)16-20(18,19)14-8-6-13(7-9-14)12(2)3/h6-9,12,16-17H,5,10-11H2,1-4H3
InChIKeyYYKJBPLRPHXXDB-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.64
Rot. Bonds7

About N-(1-hydroxy-3-methylpentan-3-yl)-4-propan-2-ylbenzenesulfonamide

N-(1-hydroxy-3-methylpentan-3-yl)-4-propan-2-ylbenzenesulfonamide (PubChem CID 106169794) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylpentan-3-yl)-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylpentan-3-yl)-4-propan-2-ylbenzenesulfonamide
PubChem CID106169794
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC NameN-(1-hydroxy-3-methylpentan-3-yl)-4-propan-2-ylbenzenesulfonamide
SMILESCCC(C)(CCO)NS(=O)(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C15H25NO3S/c1-5-15(4,10-11-17)16-20(18,19)14-8-6-13(7-9-14)12(2)3/h6-9,12,16-17H,5,10-11H2,1-4H3
InChIKeyYYKJBPLRPHXXDB-UHFFFAOYSA-N
XLogP2.64
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dichloro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 106169954
4-(1-aminoethyl)-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106330066
3-chloro-4-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 106169609
4-chloro-N-(1-hydroxy-3-methylpentan-3-yl)-3-nitrobenzenesulfonamide
CID 106170126
3-bromo-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 106169573
N-(1-hydroxy-3-methylpentan-3-yl)pyridine-3-sulfonamide
CID 106170160
N-(1-hydroxy-3-methylpentan-3-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 106169800
3-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]-3-methylpentan-1-ol
CID 106175254
5-chloro-N-(1-hydroxy-3-methylpentan-3-yl)thiophene-2-sulfonamide
CID 114153362
4-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)-3-nitrobenzenesulfonamide
CID 106169656
N-(1-hydroxy-3-methylpentan-3-yl)-3-propanoylbenzenesulfonamide
CID 106173679
4-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-methylbenzenesulfonamide
CID 106171205

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)-4-propan-2-ylbenzenesulfonamide (CID 106169794) is N-(1-hydroxy-3-methylpentan-3-yl)-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-(1-hydroxy-3-methylpentan-3-yl)-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-(1-hydroxy-3-methylpentan-3-yl)-4-propan-2-ylbenzenesulfonamide is CCC(C)(CCO)NS(=O)(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of N-(1-hydroxy-3-methylpentan-3-yl)-4-propan-2-ylbenzenesulfonamide?
The InChIKey is YYKJBPLRPHXXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-5-15(4,10-11-17)16-20(18,19)14-8-6-13(7-9-14)12(2)3/h6-9,12,16-17H,5,10-11H2,1-4H3.
What are the key properties of N-(1-hydroxy-3-methylpentan-3-yl)-4-propan-2-ylbenzenesulfonamide?
N-(1-hydroxy-3-methylpentan-3-yl)-4-propan-2-ylbenzenesulfonamide has a molecular weight of 299.44 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylpentan-3-yl)-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 106169794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).