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

C10H15NO3S — CID 115753665

IUPACN-[(4-hydroxyphenyl)methyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCc1ccc(O)cc1
InChIInChI=1S/C10H15NO3S/c1-8(2)15(13,14)11-7-9-3-5-10(12)6-4-9/h3-6,8,11-12H,7H2,1-2H3
InChIKeyVDLMCTKCXCNXHQ-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.22
Rot. Bonds4

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

N-[(4-hydroxyphenyl)methyl]propane-2-sulfonamide (PubChem CID 115753665) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is N-[(4-hydroxyphenyl)methyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[(4-hydroxyphenyl)methyl]propane-2-sulfonamide
PubChem CID115753665
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC NameN-[(4-hydroxyphenyl)methyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCc1ccc(O)cc1
InChIInChI=1S/C10H15NO3S/c1-8(2)15(13,14)11-7-9-3-5-10(12)6-4-9/h3-6,8,11-12H,7H2,1-2H3
InChIKeyVDLMCTKCXCNXHQ-UHFFFAOYSA-N
XLogP1.22
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(dimethylsulfamoylamino)methyl]-4-hydroxybenzene
CID 115753679
(2S)-3-(4-hydroxyphenyl)-2-(propan-2-ylsulfonylamino)propanoic acid
CID 61144542
N-[(6-methoxynaphthalen-2-yl)methyl]propane-2-sulfonamide
CID 47371751
4-[[[4-(2-methylpropyl)phenyl]methylamino]methyl]phenol
CID 115688990
2-[(4-hydroxyphenyl)methylsulfamoyl]acetic acid
CID 114331325
3-(4-hydroxyphenyl)-2-methylpropane-1-sulfonyl chloride
CID 115046426
bis(4-[(2S)-2-(methylamino)propyl]phenol);sulfuric acid
CID 76968318
1-hydroxy-4-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]benzene
CID 54947518
N-[(4-hydroxyphenyl)methyl]-2-methoxypropanamide
CID 115588691
3-[(propan-2-ylsulfonylamino)methyl]benzenecarbothioamide
CID 62312237
N-[(1-methylpyrazol-4-yl)methyl]propane-2-sulfonamide
CID 47373259
N-[(4-hydroxyphenyl)methyl]-N-methylpropane-2-sulfonamide
CID 61043511

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyphenyl)methyl]propane-2-sulfonamide?
The IUPAC name of N-[(4-hydroxyphenyl)methyl]propane-2-sulfonamide (CID 115753665) is N-[(4-hydroxyphenyl)methyl]propane-2-sulfonamide.
What is the SMILES notation for N-[(4-hydroxyphenyl)methyl]propane-2-sulfonamide?
The canonical SMILES for N-[(4-hydroxyphenyl)methyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NCc1ccc(O)cc1.
What is the InChIKey of N-[(4-hydroxyphenyl)methyl]propane-2-sulfonamide?
The InChIKey is VDLMCTKCXCNXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-8(2)15(13,14)11-7-9-3-5-10(12)6-4-9/h3-6,8,11-12H,7H2,1-2H3.
What are the key properties of N-[(4-hydroxyphenyl)methyl]propane-2-sulfonamide?
N-[(4-hydroxyphenyl)methyl]propane-2-sulfonamide has a molecular weight of 229.30 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyphenyl)methyl]propane-2-sulfonamide is sourced from PubChem (CID 115753665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).