N-(3-hydroxy-4-methoxybutyl)-2,4-dimethylbenzenesulfonamide

C13H21NO4S — CID 103875907

IUPACN-(3-hydroxy-4-methoxybutyl)-2,4-dimethylbenzenesulfonamide
SMILESCOCC(O)CCNS(=O)(=O)c1ccc(C)cc1C
InChIInChI=1S/C13H21NO4S/c1-10-4-5-13(11(2)8-10)19(16,17)14-7-6-12(15)9-18-3/h4-5,8,12,14-15H,6-7,9H2,1-3H3
InChIKeyPLZOBUZZPINZBX-UHFFFAOYSA-N
MW287.38 g/mol
LogP0.98
Rot. Bonds7

About N-(3-hydroxy-4-methoxybutyl)-2,4-dimethylbenzenesulfonamide

N-(3-hydroxy-4-methoxybutyl)-2,4-dimethylbenzenesulfonamide (PubChem CID 103875907) has the molecular formula C13H21NO4S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-(3-hydroxy-4-methoxybutyl)-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methoxybutyl)-2,4-dimethylbenzenesulfonamide
PubChem CID103875907
Molecular FormulaC13H21NO4S
Molecular Weight287.38 g/mol
Exact Mass287.12
IUPAC NameN-(3-hydroxy-4-methoxybutyl)-2,4-dimethylbenzenesulfonamide
SMILESCOCC(O)CCNS(=O)(=O)c1ccc(C)cc1C
InChIInChI=1S/C13H21NO4S/c1-10-4-5-13(11(2)8-10)19(16,17)14-7-6-12(15)9-18-3/h4-5,8,12,14-15H,6-7,9H2,1-3H3
InChIKeyPLZOBUZZPINZBX-UHFFFAOYSA-N
XLogP0.98
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-4-methoxybutyl)-2,4-dimethylbenzenesulfonamide
CID 106243978
N-(3-hydroxy-4-methoxybutyl)-2,4,6-trimethylbenzenesulfonamide
CID 103876049
2,4-dimethyl-N-(3-methylbutyl)benzenesulfonamide
CID 19681816
3-amino-2,4-difluoro-N-(3-hydroxy-4-methoxybutyl)benzenesulfonamide
CID 106242536
5-amino-2-[(3-hydroxy-4-methoxybutyl)sulfamoyl]benzoic acid
CID 106242569
N-(3-chloro-4-methoxybutyl)-2,5-dimethylbenzenesulfonamide
CID 106245434
4-fluoro-N-(3-hydroxy-4-methoxybutyl)-2,6-dimethylbenzenesulfonamide
CID 106150803
5-amino-N-(3-hydroxy-4-methoxybutyl)-2-methoxybenzenesulfonamide
CID 106242625
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-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-N-(2-methoxyethyl)acetamide
CID 113053219
4-amino-2-[(3-hydroxy-4-methoxybutyl)sulfamoyl]benzoic acid
CID 106242617

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methoxybutyl)-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(3-hydroxy-4-methoxybutyl)-2,4-dimethylbenzenesulfonamide (CID 103875907) is N-(3-hydroxy-4-methoxybutyl)-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(3-hydroxy-4-methoxybutyl)-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(3-hydroxy-4-methoxybutyl)-2,4-dimethylbenzenesulfonamide is COCC(O)CCNS(=O)(=O)c1ccc(C)cc1C.
What is the InChIKey of N-(3-hydroxy-4-methoxybutyl)-2,4-dimethylbenzenesulfonamide?
The InChIKey is PLZOBUZZPINZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4S/c1-10-4-5-13(11(2)8-10)19(16,17)14-7-6-12(15)9-18-3/h4-5,8,12,14-15H,6-7,9H2,1-3H3.
What are the key properties of N-(3-hydroxy-4-methoxybutyl)-2,4-dimethylbenzenesulfonamide?
N-(3-hydroxy-4-methoxybutyl)-2,4-dimethylbenzenesulfonamide has a molecular weight of 287.38 g/mol, XLogP of 0.98, 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-dimethylbenzenesulfonamide is sourced from PubChem (CID 103875907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).