4-methoxy-N-(2-methylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide

C19H22N2O5S — CID 1250571

IUPAC4-methoxy-N-(2-methylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2C)cc1C(=O)N1CCOCC1
InChIInChI=1S/C19H22N2O5S/c1-14-5-3-4-6-17(14)20-27(23,24)15-7-8-18(25-2)16(13-15)19(22)21-9-11-26-12-10-21/h3-8,13,20H,9-12H2,1-2H3
InChIKeyATOFMOPIZFYBFV-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.28
Rot. Bonds5

About 4-methoxy-N-(2-methylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide

4-methoxy-N-(2-methylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide (PubChem CID 1250571) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is 4-methoxy-N-(2-methylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(2-methylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
PubChem CID1250571
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name4-methoxy-N-(2-methylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2C)cc1C(=O)N1CCOCC1
InChIInChI=1S/C19H22N2O5S/c1-14-5-3-4-6-17(14)20-27(23,24)15-7-8-18(25-2)16(13-15)19(22)21-9-11-26-12-10-21/h3-8,13,20H,9-12H2,1-2H3
InChIKeyATOFMOPIZFYBFV-UHFFFAOYSA-N
XLogP2.28
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-methylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-(2-methylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide (CID 1250571) is 4-methoxy-N-(2-methylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(2-methylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(2-methylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccccc2C)cc1C(=O)N1CCOCC1.
What is the InChIKey of 4-methoxy-N-(2-methylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide?
The InChIKey is ATOFMOPIZFYBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-14-5-3-4-6-17(14)20-27(23,24)15-7-8-18(25-2)16(13-15)19(22)21-9-11-26-12-10-21/h3-8,13,20H,9-12H2,1-2H3.
What are the key properties of 4-methoxy-N-(2-methylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide?
4-methoxy-N-(2-methylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide has a molecular weight of 390.46 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-methylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide is sourced from PubChem (CID 1250571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).