2-hydroxy-N-(3-methylsulfanylbutyl)benzenesulfonamide

C11H17NO3S2 — CID 113494155

IUPAC2-hydroxy-N-(3-methylsulfanylbutyl)benzenesulfonamide
SMILESCSC(C)CCNS(=O)(=O)c1ccccc1O
InChIInChI=1S/C11H17NO3S2/c1-9(16-2)7-8-12-17(14,15)11-6-4-3-5-10(11)13/h3-6,9,12-13H,7-8H2,1-2H3
InChIKeyVLBBYARWAFLMJE-UHFFFAOYSA-N
MW275.39 g/mol
LogP1.81
Rot. Bonds6

About 2-hydroxy-N-(3-methylsulfanylbutyl)benzenesulfonamide

2-hydroxy-N-(3-methylsulfanylbutyl)benzenesulfonamide (PubChem CID 113494155) has the molecular formula C11H17NO3S2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-hydroxy-N-(3-methylsulfanylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name2-hydroxy-N-(3-methylsulfanylbutyl)benzenesulfonamide
PubChem CID113494155
Molecular FormulaC11H17NO3S2
Molecular Weight275.39 g/mol
Exact Mass275.06
IUPAC Name2-hydroxy-N-(3-methylsulfanylbutyl)benzenesulfonamide
SMILESCSC(C)CCNS(=O)(=O)c1ccccc1O
InChIInChI=1S/C11H17NO3S2/c1-9(16-2)7-8-12-17(14,15)11-6-4-3-5-10(11)13/h3-6,9,12-13H,7-8H2,1-2H3
InChIKeyVLBBYARWAFLMJE-UHFFFAOYSA-N
XLogP1.81
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminobutyl)-2-methylsulfanylbenzenesulfonamide
CID 120708577
3-amino-2,4-difluoro-N-(3-methylsulfanylbutyl)benzenesulfonamide
CID 107343857
4-acetyl-N-(3-methylsulfanylbutyl)benzenesulfonamide
CID 115604223
4-(ethylaminomethyl)-2-fluoro-N-(3-methylsulfanylbutyl)benzenesulfonamide
CID 106082337
2-bromo-4-(ethylaminomethyl)-N-(3-methylsulfanylbutyl)benzenesulfonamide
CID 106082274
N-[3-(dimethylamino)propyl]-2-hydroxybenzenesulfonamide
CID 81242201
2-amino-N-(3-hydroxybutyl)benzenesulfonamide
CID 64929991
N-(3-bromobutyl)-2-methylbenzenesulfonamide
CID 114297703
5-bromo-2-methyl-N-(3-methylsulfanylbutyl)thiophene-3-sulfonamide
CID 115690352
2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(3-methylsulfanylbutyl)benzenesulfonamide
CID 116529198
2-(hydroxymethyl)-N-(3-methylbutyl)benzenesulfonamide
CID 114132450
5-(3-methylsulfanylbutylsulfamoyl)furan-2-carboxylic acid
CID 113493885

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(3-methylsulfanylbutyl)benzenesulfonamide?
The IUPAC name of 2-hydroxy-N-(3-methylsulfanylbutyl)benzenesulfonamide (CID 113494155) is 2-hydroxy-N-(3-methylsulfanylbutyl)benzenesulfonamide.
What is the SMILES notation for 2-hydroxy-N-(3-methylsulfanylbutyl)benzenesulfonamide?
The canonical SMILES for 2-hydroxy-N-(3-methylsulfanylbutyl)benzenesulfonamide is CSC(C)CCNS(=O)(=O)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-(3-methylsulfanylbutyl)benzenesulfonamide?
The InChIKey is VLBBYARWAFLMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S2/c1-9(16-2)7-8-12-17(14,15)11-6-4-3-5-10(11)13/h3-6,9,12-13H,7-8H2,1-2H3.
What are the key properties of 2-hydroxy-N-(3-methylsulfanylbutyl)benzenesulfonamide?
2-hydroxy-N-(3-methylsulfanylbutyl)benzenesulfonamide has a molecular weight of 275.39 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(3-methylsulfanylbutyl)benzenesulfonamide is sourced from PubChem (CID 113494155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).