2-(hydroxymethyl)-4-methoxybenzenesulfonamide

C8H11NO4S — CID 67168933

IUPAC2-(hydroxymethyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(N)(=O)=O)c(CO)c1
InChIInChI=1S/C8H11NO4S/c1-13-7-2-3-8(14(9,11)12)6(4-7)5-10/h2-4,10H,5H2,1H3,(H2,9,11,12)
InChIKeyGBFCUMPHLPPILK-UHFFFAOYSA-N
MW217.25 g/mol
LogP-0.17
Rot. Bonds3

About 2-(hydroxymethyl)-4-methoxybenzenesulfonamide

2-(hydroxymethyl)-4-methoxybenzenesulfonamide (PubChem CID 67168933) has the molecular formula C8H11NO4S and a molecular weight of 217.25 g/mol. Its IUPAC name is 2-(hydroxymethyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-4-methoxybenzenesulfonamide
PubChem CID67168933
Molecular FormulaC8H11NO4S
Molecular Weight217.25 g/mol
Exact Mass217.04
IUPAC Name2-(hydroxymethyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(N)(=O)=O)c(CO)c1
InChIInChI=1S/C8H11NO4S/c1-13-7-2-3-8(14(9,11)12)6(4-7)5-10/h2-4,10H,5H2,1H3,(H2,9,11,12)
InChIKeyGBFCUMPHLPPILK-UHFFFAOYSA-N
XLogP-0.17
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-formyl-4-methoxybenzenesulfonamide
CID 102084002
4-methoxy-2-propan-2-yloxybenzenesulfonamide
CID 69224497
[5-methoxy-2-(2-methylsulfonylethoxy)phenyl]methanol
CID 60915794
[2-(1-aminoethyl)-5-methoxyphenyl]methanol
CID 130042307
2-isocyanato-4-methoxybenzenesulfonamide
CID 141019854
2-[5-methoxy-2-(pyrrol-1-ylsulfamoyl)phenyl]acetic acid
CID 79084888
2-cyclohexyloxy-4-methoxybenzenesulfonamide
CID 69224689
[5-bromo-2-[2-(2,4-dimethoxyphenyl)ethylsulfonyl]phenyl]methanol
CID 157270721
2-amino-4-(3-methoxyphenoxy)benzenesulfonamide
CID 79467005
2-[2-(dimethylsulfamoyl)-5-methoxyphenyl]acetic acid
CID 16775359
2-(2-hydroxyethyl)-4-methoxy-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106331622
methyl 5-(hydroxymethyl)-2-sulfamoylbenzoate
CID 19812513

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-4-methoxybenzenesulfonamide?
The IUPAC name of 2-(hydroxymethyl)-4-methoxybenzenesulfonamide (CID 67168933) is 2-(hydroxymethyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for 2-(hydroxymethyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for 2-(hydroxymethyl)-4-methoxybenzenesulfonamide is COc1ccc(S(N)(=O)=O)c(CO)c1.
What is the InChIKey of 2-(hydroxymethyl)-4-methoxybenzenesulfonamide?
The InChIKey is GBFCUMPHLPPILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4S/c1-13-7-2-3-8(14(9,11)12)6(4-7)5-10/h2-4,10H,5H2,1H3,(H2,9,11,12).
What are the key properties of 2-(hydroxymethyl)-4-methoxybenzenesulfonamide?
2-(hydroxymethyl)-4-methoxybenzenesulfonamide has a molecular weight of 217.25 g/mol, XLogP of -0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 67168933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).