N-(3-hydroxy-4-methylphenyl)butane-1-sulfonamide

C11H17NO3S — CID 64794580

IUPACN-(3-hydroxy-4-methylphenyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(C)c(O)c1
InChIInChI=1S/C11H17NO3S/c1-3-4-7-16(14,15)12-10-6-5-9(2)11(13)8-10/h5-6,8,12-13H,3-4,7H2,1-2H3
InChIKeyAATRGRPKVZVTGG-UHFFFAOYSA-N
MW243.33 g/mol
LogP2.24
Rot. Bonds5

About N-(3-hydroxy-4-methylphenyl)butane-1-sulfonamide

N-(3-hydroxy-4-methylphenyl)butane-1-sulfonamide (PubChem CID 64794580) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-(3-hydroxy-4-methylphenyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methylphenyl)butane-1-sulfonamide
PubChem CID64794580
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC NameN-(3-hydroxy-4-methylphenyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(C)c(O)c1
InChIInChI=1S/C11H17NO3S/c1-3-4-7-16(14,15)12-10-6-5-9(2)11(13)8-10/h5-6,8,12-13H,3-4,7H2,1-2H3
InChIKeyAATRGRPKVZVTGG-UHFFFAOYSA-N
XLogP2.24
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxy-4-methylphenyl)-2-methylsulfonylethanesulfonamide
CID 64794415
N-(3,4-dimethylphenyl)-3-hydroxypropane-1-sulfonamide
CID 94688171
N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]butane-1-sulfonamide
CID 63334556
2-methyl-5-(propylsulfonylamino)benzoic acid
CID 63653698
3-amino-N-(3,4-dimethylphenyl)propane-1-sulfonamide
CID 60909550
5-amino-N-[4-(butylsulfonylamino)phenyl]-2-methylbenzamide
CID 120635515
4-(butylsulfonylamino)-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 22202772
2-methyl-4-(propylsulfonylamino)benzenesulfonamide
CID 43134191
N-(3-aminophenyl)butane-1-sulfonamide
CID 16778445
N-(3-fluoro-4-methylphenyl)-4-(propylamino)butane-1-sulfonamide
CID 107478266
N-(3-methylsulfonylphenyl)butane-1-sulfonamide
CID 110779460
N-(4-chloro-2-hydroxyphenyl)butane-1-sulfonamide
CID 81434097

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methylphenyl)butane-1-sulfonamide?
The IUPAC name of N-(3-hydroxy-4-methylphenyl)butane-1-sulfonamide (CID 64794580) is N-(3-hydroxy-4-methylphenyl)butane-1-sulfonamide.
What is the SMILES notation for N-(3-hydroxy-4-methylphenyl)butane-1-sulfonamide?
The canonical SMILES for N-(3-hydroxy-4-methylphenyl)butane-1-sulfonamide is CCCCS(=O)(=O)Nc1ccc(C)c(O)c1.
What is the InChIKey of N-(3-hydroxy-4-methylphenyl)butane-1-sulfonamide?
The InChIKey is AATRGRPKVZVTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-3-4-7-16(14,15)12-10-6-5-9(2)11(13)8-10/h5-6,8,12-13H,3-4,7H2,1-2H3.
What are the key properties of N-(3-hydroxy-4-methylphenyl)butane-1-sulfonamide?
N-(3-hydroxy-4-methylphenyl)butane-1-sulfonamide has a molecular weight of 243.33 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methylphenyl)butane-1-sulfonamide is sourced from PubChem (CID 64794580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).