2-(methylamino)-5-morpholin-4-ylsulfonylphenol

C11H16N2O4S — CID 42647844

IUPAC2-(methylamino)-5-morpholin-4-ylsulfonylphenol
SMILESCNc1ccc(S(=O)(=O)N2CCOCC2)cc1O
InChIInChI=1S/C11H16N2O4S/c1-12-10-3-2-9(8-11(10)14)18(15,16)13-4-6-17-7-5-13/h2-3,8,12,14H,4-7H2,1H3
InChIKeyRNKVSTOQBQFWRM-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.45
Rot. Bonds3

About 2-(methylamino)-5-morpholin-4-ylsulfonylphenol

2-(methylamino)-5-morpholin-4-ylsulfonylphenol (PubChem CID 42647844) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-(methylamino)-5-morpholin-4-ylsulfonylphenol.

Molecular Properties

Compound Name2-(methylamino)-5-morpholin-4-ylsulfonylphenol
PubChem CID42647844
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name2-(methylamino)-5-morpholin-4-ylsulfonylphenol
SMILESCNc1ccc(S(=O)(=O)N2CCOCC2)cc1O
InChIInChI=1S/C11H16N2O4S/c1-12-10-3-2-9(8-11(10)14)18(15,16)13-4-6-17-7-5-13/h2-3,8,12,14H,4-7H2,1H3
InChIKeyRNKVSTOQBQFWRM-UHFFFAOYSA-N
XLogP0.45
TPSA78.87 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 ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(methylamino)-5-morpholin-4-ylsulfonylbenzoic acid
CID 103606245
2-chloro-4-morpholin-4-ylsulfonylphenol
CID 3821405
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 27672653
N-(2-hydroxy-4-methylphenyl)morpholine-4-sulfonamide
CID 43436716
N-methyl-3-morpholin-4-ylsulfonylbenzenesulfonamide
CID 49236430
N-(2,4-dichlorophenyl)-2-hydroxy-5-morpholin-4-ylsulfonylbenzamide
CID 43853480
N-(2-hydroxy-4-methylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 2103502
4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145
N'-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-N-(2-hydroxyphenyl)oxamide
CID 108514243
methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 779059
N-[2-(ethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(methylamino)acetamide;hydrochloride
CID 119680614
4-methyl-5-(methylamino)-2-morpholin-4-ylsulfonylnaphthalen-1-ol
CID 20719510

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-5-morpholin-4-ylsulfonylphenol?
The IUPAC name of 2-(methylamino)-5-morpholin-4-ylsulfonylphenol (CID 42647844) is 2-(methylamino)-5-morpholin-4-ylsulfonylphenol.
What is the SMILES notation for 2-(methylamino)-5-morpholin-4-ylsulfonylphenol?
The canonical SMILES for 2-(methylamino)-5-morpholin-4-ylsulfonylphenol is CNc1ccc(S(=O)(=O)N2CCOCC2)cc1O.
What is the InChIKey of 2-(methylamino)-5-morpholin-4-ylsulfonylphenol?
The InChIKey is RNKVSTOQBQFWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-12-10-3-2-9(8-11(10)14)18(15,16)13-4-6-17-7-5-13/h2-3,8,12,14H,4-7H2,1H3.
What are the key properties of 2-(methylamino)-5-morpholin-4-ylsulfonylphenol?
2-(methylamino)-5-morpholin-4-ylsulfonylphenol has a molecular weight of 272.33 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-5-morpholin-4-ylsulfonylphenol is sourced from PubChem (CID 42647844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).