N-(4-hydroxy-2-methylbutyl)naphthalene-1-sulfonamide

C15H19NO3S — CID 115755317

IUPACN-(4-hydroxy-2-methylbutyl)naphthalene-1-sulfonamide
SMILESCC(CCO)CNS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C15H19NO3S/c1-12(9-10-17)11-16-20(18,19)15-8-4-6-13-5-2-3-7-14(13)15/h2-8,12,16-17H,9-11H2,1H3
InChIKeyGAUHPJUIILLKCE-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.14
Rot. Bonds6

About N-(4-hydroxy-2-methylbutyl)naphthalene-1-sulfonamide

N-(4-hydroxy-2-methylbutyl)naphthalene-1-sulfonamide (PubChem CID 115755317) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylbutyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylbutyl)naphthalene-1-sulfonamide
PubChem CID115755317
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC NameN-(4-hydroxy-2-methylbutyl)naphthalene-1-sulfonamide
SMILESCC(CCO)CNS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C15H19NO3S/c1-12(9-10-17)11-16-20(18,19)15-8-4-6-13-5-2-3-7-14(13)15/h2-8,12,16-17H,9-11H2,1H3
InChIKeyGAUHPJUIILLKCE-UHFFFAOYSA-N
XLogP2.14
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-hydroxy-4-methylpentyl)naphthalene-1-sulfonamide
CID 103858821
3-[(4-hydroxy-2-methylbutyl)sulfamoyl]-2-methylbenzoic acid
CID 66091996
2-methyl-3-(naphthalen-1-ylsulfonylamino)propanethioamide
CID 114795498
N-(3-methylbutyl)naphthalene-1-sulfonamide
CID 115684014
N-(3-chlorobutyl)naphthalene-1-sulfonamide
CID 114795632
N-(4-methylpentyl)naphthalene-1-sulfonamide
CID 114795811
N-[(2S)-1-hydroxypropan-2-yl]naphthalene-1-sulfonamide
CID 103802489
(2R)-2-(naphthalen-1-ylsulfonylamino)propanoic acid
CID 103862696
N-(methylaminomethyl)naphthalene-1-sulfonamide
CID 173069898
N-(4-hydroxy-2-methylbutyl)-2,4-dimethylbenzenesulfonamide
CID 66109314
N-(4-hydroxy-2-methylbutyl)-2,5-dimethylbenzenesulfonamide
CID 66108868
N-(2-cyclopropyl-2-hydroxyethyl)naphthalene-1-sulfonamide
CID 84589990

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylbutyl)naphthalene-1-sulfonamide?
The IUPAC name of N-(4-hydroxy-2-methylbutyl)naphthalene-1-sulfonamide (CID 115755317) is N-(4-hydroxy-2-methylbutyl)naphthalene-1-sulfonamide.
What is the SMILES notation for N-(4-hydroxy-2-methylbutyl)naphthalene-1-sulfonamide?
The canonical SMILES for N-(4-hydroxy-2-methylbutyl)naphthalene-1-sulfonamide is CC(CCO)CNS(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N-(4-hydroxy-2-methylbutyl)naphthalene-1-sulfonamide?
The InChIKey is GAUHPJUIILLKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-12(9-10-17)11-16-20(18,19)15-8-4-6-13-5-2-3-7-14(13)15/h2-8,12,16-17H,9-11H2,1H3.
What are the key properties of N-(4-hydroxy-2-methylbutyl)naphthalene-1-sulfonamide?
N-(4-hydroxy-2-methylbutyl)naphthalene-1-sulfonamide has a molecular weight of 293.39 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylbutyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 115755317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).