N-(3-hydroxy-4-methoxybutyl)-2,4,6-trimethylbenzenesulfonamide

C14H23NO4S — CID 103876049

IUPACN-(3-hydroxy-4-methoxybutyl)-2,4,6-trimethylbenzenesulfonamide
SMILESCOCC(O)CCNS(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C14H23NO4S/c1-10-7-11(2)14(12(3)8-10)20(17,18)15-6-5-13(16)9-19-4/h7-8,13,15-16H,5-6,9H2,1-4H3
InChIKeyUQVWFKVSZJWEOB-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.29
Rot. Bonds7

About N-(3-hydroxy-4-methoxybutyl)-2,4,6-trimethylbenzenesulfonamide

N-(3-hydroxy-4-methoxybutyl)-2,4,6-trimethylbenzenesulfonamide (PubChem CID 103876049) has the molecular formula C14H23NO4S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-(3-hydroxy-4-methoxybutyl)-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methoxybutyl)-2,4,6-trimethylbenzenesulfonamide
PubChem CID103876049
Molecular FormulaC14H23NO4S
Molecular Weight301.41 g/mol
Exact Mass301.13
IUPAC NameN-(3-hydroxy-4-methoxybutyl)-2,4,6-trimethylbenzenesulfonamide
SMILESCOCC(O)CCNS(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C14H23NO4S/c1-10-7-11(2)14(12(3)8-10)20(17,18)15-6-5-13(16)9-19-4/h7-8,13,15-16H,5-6,9H2,1-4H3
InChIKeyUQVWFKVSZJWEOB-UHFFFAOYSA-N
XLogP1.29
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-(3-hydroxy-4-methoxybutyl)-2,6-dimethylbenzenesulfonamide
CID 106150803
N-(3-hydroxy-4-methoxybutyl)-2,4-dimethylbenzenesulfonamide
CID 103875907
2,5-dichloro-N-(3-hydroxy-4-methoxybutyl)-3,6-dimethylbenzenesulfonamide
CID 103875890
(2S)-2-hydroxy-4-[(2,4,6-trimethylphenyl)sulfonylamino]butanoic acid
CID 104933998
3-[(3-hydroxy-4-methoxybutyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 106244525
5-amino-N-(3-hydroxy-4-methoxybutyl)-2-methoxybenzenesulfonamide
CID 106242625
2-methoxy-4,6-dimethyl-N-(3-methylbutyl)benzenesulfonamide
CID 110759544
2,5-dichloro-N-(3-hydroxy-4-methoxybutyl)thiophene-3-sulfonamide
CID 113343427
5-amino-3-fluoro-N-(3-hydroxy-4-methoxybutyl)-2-methylbenzenesulfonamide
CID 106242638
N-(3-hydroxy-4-methoxybutyl)methanesulfonamide
CID 103875867
N-(3-hydroxy-3-thiophen-2-ylpropyl)-2,4,6-trimethylbenzenesulfonamide
CID 90524165
N-(3-amino-4-methoxybutyl)-2,4-dimethylbenzenesulfonamide
CID 106243978

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methoxybutyl)-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-(3-hydroxy-4-methoxybutyl)-2,4,6-trimethylbenzenesulfonamide (CID 103876049) is N-(3-hydroxy-4-methoxybutyl)-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-(3-hydroxy-4-methoxybutyl)-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-(3-hydroxy-4-methoxybutyl)-2,4,6-trimethylbenzenesulfonamide is COCC(O)CCNS(=O)(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of N-(3-hydroxy-4-methoxybutyl)-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is UQVWFKVSZJWEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4S/c1-10-7-11(2)14(12(3)8-10)20(17,18)15-6-5-13(16)9-19-4/h7-8,13,15-16H,5-6,9H2,1-4H3.
What are the key properties of N-(3-hydroxy-4-methoxybutyl)-2,4,6-trimethylbenzenesulfonamide?
N-(3-hydroxy-4-methoxybutyl)-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 301.41 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methoxybutyl)-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 103876049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).