N-(1-hydroxy-4-methylpentan-2-yl)-4-propylbenzenesulfonamide

C15H25NO3S — CID 61246381

IUPACN-(1-hydroxy-4-methylpentan-2-yl)-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NC(CO)CC(C)C)cc1
InChIInChI=1S/C15H25NO3S/c1-4-5-13-6-8-15(9-7-13)20(18,19)16-14(11-17)10-12(2)3/h6-9,12,14,16-17H,4-5,10-11H2,1-3H3
InChIKeyMNYIPMLGHBSPPY-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.32
Rot. Bonds8

About N-(1-hydroxy-4-methylpentan-2-yl)-4-propylbenzenesulfonamide

N-(1-hydroxy-4-methylpentan-2-yl)-4-propylbenzenesulfonamide (PubChem CID 61246381) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-2-yl)-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-2-yl)-4-propylbenzenesulfonamide
PubChem CID61246381
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC NameN-(1-hydroxy-4-methylpentan-2-yl)-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NC(CO)CC(C)C)cc1
InChIInChI=1S/C15H25NO3S/c1-4-5-13-6-8-15(9-7-13)20(18,19)16-14(11-17)10-12(2)3/h6-9,12,14,16-17H,4-5,10-11H2,1-3H3
InChIKeyMNYIPMLGHBSPPY-UHFFFAOYSA-N
XLogP2.32
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(1-hydroxy-4-methylpentan-2-yl)sulfamoyl]phenyl]acetic acid
CID 61245697
4-bromo-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzenesulfonamide
CID 10472170
N-(1-hydroxy-4-methylpentan-2-yl)-4-iodobenzenesulfonamide
CID 61247517
N-[(2S)-1-hydroxybutan-2-yl]-4-(2-methylpropyl)benzenesulfonamide
CID 104981895
4-ethyl-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 67276511
4-[2-(ethylamino)ethyl]-N-pentan-3-ylbenzenesulfonamide
CID 106032195
4-(2-methylpropyl)-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide
CID 22204673
N-[(1S)-1-phenylethyl]-4-propylbenzenesulfonamide
CID 2559624
3-amino-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide
CID 61242032
3-[(4-propylphenyl)sulfonylamino]butanethioamide
CID 62093347
N-(2-hydroxypropyl)-4-propylbenzenesulfonamide
CID 3391675
(2S)-3-fluoro-2-[(4-propylphenyl)sulfonylamino]propanoic acid
CID 167947824

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-4-propylbenzenesulfonamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-4-propylbenzenesulfonamide (CID 61246381) is N-(1-hydroxy-4-methylpentan-2-yl)-4-propylbenzenesulfonamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-2-yl)-4-propylbenzenesulfonamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-2-yl)-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)NC(CO)CC(C)C)cc1.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-2-yl)-4-propylbenzenesulfonamide?
The InChIKey is MNYIPMLGHBSPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-4-5-13-6-8-15(9-7-13)20(18,19)16-14(11-17)10-12(2)3/h6-9,12,14,16-17H,4-5,10-11H2,1-3H3.
What are the key properties of N-(1-hydroxy-4-methylpentan-2-yl)-4-propylbenzenesulfonamide?
N-(1-hydroxy-4-methylpentan-2-yl)-4-propylbenzenesulfonamide has a molecular weight of 299.44 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-2-yl)-4-propylbenzenesulfonamide is sourced from PubChem (CID 61246381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).