4-[2-(hydroxymethyl)morpholin-4-yl]benzenesulfonamide

C11H16N2O4S — CID 81219831

IUPAC4-[2-(hydroxymethyl)morpholin-4-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2CCOC(CO)C2)cc1
InChIInChI=1S/C11H16N2O4S/c12-18(15,16)11-3-1-9(2-4-11)13-5-6-17-10(7-13)8-14/h1-4,10,14H,5-8H2,(H2,12,15,16)
InChIKeyIOSUWUFJHLRLNF-UHFFFAOYSA-N
MW272.33 g/mol
LogP-0.47
Rot. Bonds3

About 4-[2-(hydroxymethyl)morpholin-4-yl]benzenesulfonamide

4-[2-(hydroxymethyl)morpholin-4-yl]benzenesulfonamide (PubChem CID 81219831) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 4-[2-(hydroxymethyl)morpholin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(hydroxymethyl)morpholin-4-yl]benzenesulfonamide
PubChem CID81219831
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name4-[2-(hydroxymethyl)morpholin-4-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2CCOC(CO)C2)cc1
InChIInChI=1S/C11H16N2O4S/c12-18(15,16)11-3-1-9(2-4-11)13-5-6-17-10(7-13)8-14/h1-4,10,14H,5-8H2,(H2,12,15,16)
InChIKeyIOSUWUFJHLRLNF-UHFFFAOYSA-N
XLogP-0.47
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-4-[2-(hydroxymethyl)morpholin-4-yl]benzenesulfonamide
CID 81219360
2-[2-(hydroxymethyl)morpholin-4-yl]-5-sulfamoylbenzoic acid
CID 81195386
4-[2-(hydroxymethyl)morpholin-4-yl]benzaldehyde
CID 81204453
2-(chloromethyl)-4-(4-methylsulfonylphenyl)morpholine
CID 81209851
methyl 4-[2-(hydroxymethyl)morpholin-4-yl]benzoate
CID 117008733
2-amino-4-[2-(hydroxymethyl)morpholin-4-yl]benzoic acid
CID 104500811
[(2S)-4-(3-amino-4-fluorophenyl)morpholin-2-yl]methanol
CID 162439692
[4-(4-amino-3-methylphenyl)morpholin-2-yl]methanol
CID 81206062
[(2R)-4-(3-amino-4-fluorophenyl)morpholin-2-yl]methanol
CID 166940465
methyl 2-[4-(4-methylsulfonylphenyl)morpholin-2-yl]acetate
CID 115538670
1-[(2S)-4-(4-ethylsulfonylphenyl)morpholin-2-yl]-N,N-dimethylmethanamine
CID 99790126
(2R)-2-benzyl-4-(4-ethylsulfonylphenyl)morpholine
CID 125138388

Frequently Asked Questions

What is the IUPAC name of 4-[2-(hydroxymethyl)morpholin-4-yl]benzenesulfonamide?
The IUPAC name of 4-[2-(hydroxymethyl)morpholin-4-yl]benzenesulfonamide (CID 81219831) is 4-[2-(hydroxymethyl)morpholin-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(hydroxymethyl)morpholin-4-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-(hydroxymethyl)morpholin-4-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(N2CCOC(CO)C2)cc1.
What is the InChIKey of 4-[2-(hydroxymethyl)morpholin-4-yl]benzenesulfonamide?
The InChIKey is IOSUWUFJHLRLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c12-18(15,16)11-3-1-9(2-4-11)13-5-6-17-10(7-13)8-14/h1-4,10,14H,5-8H2,(H2,12,15,16).
What are the key properties of 4-[2-(hydroxymethyl)morpholin-4-yl]benzenesulfonamide?
4-[2-(hydroxymethyl)morpholin-4-yl]benzenesulfonamide has a molecular weight of 272.33 g/mol, XLogP of -0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(hydroxymethyl)morpholin-4-yl]benzenesulfonamide is sourced from PubChem (CID 81219831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).