N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-hydroxy-5-methylbenzenesulfonamide

C19H23FN2O4S — CID 51125522

IUPACN-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-hydroxy-5-methylbenzenesulfonamide
SMILESCc1ccc(O)c(S(=O)(=O)Nc2ccc(N3CC(C)OC(C)C3)c(F)c2)c1
InChIInChI=1S/C19H23FN2O4S/c1-12-4-7-18(23)19(8-12)27(24,25)21-15-5-6-17(16(20)9-15)22-10-13(2)26-14(3)11-22/h4-9,13-14,21,23H,10-11H2,1-3H3
InChIKeyMSOJWKQEHYBACT-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.25
Rot. Bonds4

About N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-hydroxy-5-methylbenzenesulfonamide

N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-hydroxy-5-methylbenzenesulfonamide (PubChem CID 51125522) has the molecular formula C19H23FN2O4S and a molecular weight of 394.47 g/mol. Its IUPAC name is N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-hydroxy-5-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-hydroxy-5-methylbenzenesulfonamide
PubChem CID51125522
Molecular FormulaC19H23FN2O4S
Molecular Weight394.47 g/mol
Exact Mass394.14
IUPAC NameN-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-hydroxy-5-methylbenzenesulfonamide
SMILESCc1ccc(O)c(S(=O)(=O)Nc2ccc(N3CC(C)OC(C)C3)c(F)c2)c1
InChIInChI=1S/C19H23FN2O4S/c1-12-4-7-18(23)19(8-12)27(24,25)21-15-5-6-17(16(20)9-15)22-10-13(2)26-14(3)11-22/h4-9,13-14,21,23H,10-11H2,1-3H3
InChIKeyMSOJWKQEHYBACT-UHFFFAOYSA-N
XLogP3.25
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-hydroxy-5-methylbenzenesulfonamide?
The IUPAC name of N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-hydroxy-5-methylbenzenesulfonamide (CID 51125522) is N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-hydroxy-5-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-hydroxy-5-methylbenzenesulfonamide?
The canonical SMILES for N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-hydroxy-5-methylbenzenesulfonamide is Cc1ccc(O)c(S(=O)(=O)Nc2ccc(N3CC(C)OC(C)C3)c(F)c2)c1.
What is the InChIKey of N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-hydroxy-5-methylbenzenesulfonamide?
The InChIKey is MSOJWKQEHYBACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O4S/c1-12-4-7-18(23)19(8-12)27(24,25)21-15-5-6-17(16(20)9-15)22-10-13(2)26-14(3)11-22/h4-9,13-14,21,23H,10-11H2,1-3H3.
What are the key properties of N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-hydroxy-5-methylbenzenesulfonamide?
N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-hydroxy-5-methylbenzenesulfonamide has a molecular weight of 394.47 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-hydroxy-5-methylbenzenesulfonamide is sourced from PubChem (CID 51125522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).