N-(2-hydroxy-4-methylphenyl)morpholine-4-sulfonamide

C11H16N2O4S — CID 43436716

IUPACN-(2-hydroxy-4-methylphenyl)morpholine-4-sulfonamide
SMILESCc1ccc(NS(=O)(=O)N2CCOCC2)c(O)c1
InChIInChI=1S/C11H16N2O4S/c1-9-2-3-10(11(14)8-9)12-18(15,16)13-4-6-17-7-5-13/h2-3,8,12,14H,4-7H2,1H3
InChIKeyFVWXPAMKHXGDNB-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.69
Rot. Bonds3

About N-(2-hydroxy-4-methylphenyl)morpholine-4-sulfonamide

N-(2-hydroxy-4-methylphenyl)morpholine-4-sulfonamide (PubChem CID 43436716) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylphenyl)morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylphenyl)morpholine-4-sulfonamide
PubChem CID43436716
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC NameN-(2-hydroxy-4-methylphenyl)morpholine-4-sulfonamide
SMILESCc1ccc(NS(=O)(=O)N2CCOCC2)c(O)c1
InChIInChI=1S/C11H16N2O4S/c1-9-2-3-10(11(14)8-9)12-18(15,16)13-4-6-17-7-5-13/h2-3,8,12,14H,4-7H2,1H3
InChIKeyFVWXPAMKHXGDNB-UHFFFAOYSA-N
XLogP0.69
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-4-(morpholin-4-ylsulfonylamino)benzoic acid
CID 60827859
N-(2-hydroxy-5-methylphenyl)pyrrolidine-1-sulfonamide
CID 54936857
N-(3-amino-2,4-dimethylphenyl)morpholine-4-sulfonamide
CID 54880810
N-(5-fluoro-2-hydroxyphenyl)morpholine-4-sulfonamide
CID 64794956
N-(4-chloro-2-methylphenyl)morpholine-4-sulfonamide
CID 110706024
N-(3-methylphenyl)morpholine-4-sulfonamide
CID 110706005
N-(2-hydroxy-4-methylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 2103502
N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]morpholine-4-sulfonamide
CID 60813412
2-(methylamino)-5-morpholin-4-ylsulfonylphenol
CID 42647844
N-(2-hydroxy-4-methylphenyl)methanesulfonamide
CID 849290
3-fluoro-4-(morpholin-4-ylsulfonylamino)benzoic acid
CID 63189853
N-(4-hydroxyphenyl)morpholine-4-sulfonamide
CID 21238314

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylphenyl)morpholine-4-sulfonamide?
The IUPAC name of N-(2-hydroxy-4-methylphenyl)morpholine-4-sulfonamide (CID 43436716) is N-(2-hydroxy-4-methylphenyl)morpholine-4-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-4-methylphenyl)morpholine-4-sulfonamide?
The canonical SMILES for N-(2-hydroxy-4-methylphenyl)morpholine-4-sulfonamide is Cc1ccc(NS(=O)(=O)N2CCOCC2)c(O)c1.
What is the InChIKey of N-(2-hydroxy-4-methylphenyl)morpholine-4-sulfonamide?
The InChIKey is FVWXPAMKHXGDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-9-2-3-10(11(14)8-9)12-18(15,16)13-4-6-17-7-5-13/h2-3,8,12,14H,4-7H2,1H3.
What are the key properties of N-(2-hydroxy-4-methylphenyl)morpholine-4-sulfonamide?
N-(2-hydroxy-4-methylphenyl)morpholine-4-sulfonamide has a molecular weight of 272.33 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methylphenyl)morpholine-4-sulfonamide is sourced from PubChem (CID 43436716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).