N-[(4-hydroxyphenyl)methyl]-N-methylmethanesulfonamide

C9H13NO3S — CID 61044122

IUPACN-[(4-hydroxyphenyl)methyl]-N-methylmethanesulfonamide
SMILESCN(Cc1ccc(O)cc1)S(C)(=O)=O
InChIInChI=1S/C9H13NO3S/c1-10(14(2,12)13)7-8-3-5-9(11)6-4-8/h3-6,11H,7H2,1-2H3
InChIKeyFQQDXGKXOYXFLV-UHFFFAOYSA-N
MW215.27 g/mol
LogP0.78
Rot. Bonds3

About N-[(4-hydroxyphenyl)methyl]-N-methylmethanesulfonamide

N-[(4-hydroxyphenyl)methyl]-N-methylmethanesulfonamide (PubChem CID 61044122) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is N-[(4-hydroxyphenyl)methyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[(4-hydroxyphenyl)methyl]-N-methylmethanesulfonamide
PubChem CID61044122
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC NameN-[(4-hydroxyphenyl)methyl]-N-methylmethanesulfonamide
SMILESCN(Cc1ccc(O)cc1)S(C)(=O)=O
InChIInChI=1S/C9H13NO3S/c1-10(14(2,12)13)7-8-3-5-9(11)6-4-8/h3-6,11H,7H2,1-2H3
InChIKeyFQQDXGKXOYXFLV-UHFFFAOYSA-N
XLogP0.78
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-hydroxyphenyl)methyl]-N-methylmethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-hydroxy-4-[[methyl(sulfamoyl)amino]methyl]benzene
CID 112689195
2-[(4-hydroxyphenyl)methyl-methylsulfamoyl]propanoic acid
CID 54947444
N-[(4-hydroxyphenyl)methyl]-N-methylpropane-2-sulfonamide
CID 61043511
N-[(4-hydroxyphenyl)methyl]-N,5-dimethylthiophene-2-sulfonamide
CID 54913854
methyl 4-[[methyl(methylsulfonyl)amino]methyl]benzoate
CID 54485631
3-[4-[[methyl(methylsulfonyl)amino]methyl]phenyl]prop-2-enoic acid
CID 54971818
N-[(4-hydroxyphenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 60959373
N-[(3,4-dichlorophenyl)methyl]-N-methylmethanesulfonamide
CID 60681368
2,4-dibromo-N-[(4-hydroxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 61216392
N-[[4-(azepane-1-carbonyl)phenyl]methyl]-N-methylmethanesulfonamide
CID 16662252
N-[4-[(4-hydroxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
CID 139950958
4-bromo-3-fluoro-N-[(4-hydroxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 103834156

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyphenyl)methyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[(4-hydroxyphenyl)methyl]-N-methylmethanesulfonamide (CID 61044122) is N-[(4-hydroxyphenyl)methyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[(4-hydroxyphenyl)methyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[(4-hydroxyphenyl)methyl]-N-methylmethanesulfonamide is CN(Cc1ccc(O)cc1)S(C)(=O)=O.
What is the InChIKey of N-[(4-hydroxyphenyl)methyl]-N-methylmethanesulfonamide?
The InChIKey is FQQDXGKXOYXFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S/c1-10(14(2,12)13)7-8-3-5-9(11)6-4-8/h3-6,11H,7H2,1-2H3.
What are the key properties of N-[(4-hydroxyphenyl)methyl]-N-methylmethanesulfonamide?
N-[(4-hydroxyphenyl)methyl]-N-methylmethanesulfonamide has a molecular weight of 215.27 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyphenyl)methyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 61044122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).