N-[(4-hydroxyphenyl)methyl]-N-methylpropane-2-sulfonamide

C11H17NO3S — CID 61043511

IUPACN-[(4-hydroxyphenyl)methyl]-N-methylpropane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N(C)Cc1ccc(O)cc1
InChIInChI=1S/C11H17NO3S/c1-9(2)16(14,15)12(3)8-10-4-6-11(13)7-5-10/h4-7,9,13H,8H2,1-3H3
InChIKeyXRMUYAADSZGEQK-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.56
Rot. Bonds4

About N-[(4-hydroxyphenyl)methyl]-N-methylpropane-2-sulfonamide

N-[(4-hydroxyphenyl)methyl]-N-methylpropane-2-sulfonamide (PubChem CID 61043511) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-[(4-hydroxyphenyl)methyl]-N-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[(4-hydroxyphenyl)methyl]-N-methylpropane-2-sulfonamide
PubChem CID61043511
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC NameN-[(4-hydroxyphenyl)methyl]-N-methylpropane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N(C)Cc1ccc(O)cc1
InChIInChI=1S/C11H17NO3S/c1-9(2)16(14,15)12(3)8-10-4-6-11(13)7-5-10/h4-7,9,13H,8H2,1-3H3
InChIKeyXRMUYAADSZGEQK-UHFFFAOYSA-N
XLogP1.56
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-hydroxyphenyl)methyl-methylsulfamoyl]propanoic acid
CID 54947444
N-[(4-fluorophenyl)methyl]-N-methylpropane-2-sulfonamide
CID 61362465
N-[(4-hydroxyphenyl)methyl]-N-methylmethanesulfonamide
CID 61044122
1-hydroxy-4-[[methyl(sulfamoyl)amino]methyl]benzene
CID 112689195
3-[4-[[methyl(propan-2-ylsulfonyl)amino]methyl]phenyl]prop-2-enoic acid
CID 76906223
4-[[hydroxy(propan-2-yl)amino]methyl]phenol
CID 10487648
N-[(4-hydroxyphenyl)methyl]-N,5-dimethylthiophene-2-sulfonamide
CID 54913854
(2S)-2-amino-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide
CID 61146195
(2R)-2-amino-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide
CID 78973192
2,4-dibromo-N-[(4-hydroxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 61216392
N-[4-[(4-hydroxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
CID 139950958
N-benzyl-N-methyl-1-methylsulfanylethanesulfonamide
CID 129166946

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyphenyl)methyl]-N-methylpropane-2-sulfonamide?
The IUPAC name of N-[(4-hydroxyphenyl)methyl]-N-methylpropane-2-sulfonamide (CID 61043511) is N-[(4-hydroxyphenyl)methyl]-N-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[(4-hydroxyphenyl)methyl]-N-methylpropane-2-sulfonamide?
The canonical SMILES for N-[(4-hydroxyphenyl)methyl]-N-methylpropane-2-sulfonamide is CC(C)S(=O)(=O)N(C)Cc1ccc(O)cc1.
What is the InChIKey of N-[(4-hydroxyphenyl)methyl]-N-methylpropane-2-sulfonamide?
The InChIKey is XRMUYAADSZGEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-9(2)16(14,15)12(3)8-10-4-6-11(13)7-5-10/h4-7,9,13H,8H2,1-3H3.
What are the key properties of N-[(4-hydroxyphenyl)methyl]-N-methylpropane-2-sulfonamide?
N-[(4-hydroxyphenyl)methyl]-N-methylpropane-2-sulfonamide has a molecular weight of 243.33 g/mol, XLogP of 1.56, 4 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-methylpropane-2-sulfonamide is sourced from PubChem (CID 61043511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).