N-benzyl-4-methoxy-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide

C25H26N2O5S — CID 1109506

IUPACN-benzyl-4-methoxy-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N2CCOCC2)cc1
InChIInChI=1S/C25H26N2O5S/c1-31-21-11-13-22(14-12-21)33(29,30)27(19-20-7-3-2-4-8-20)24-10-6-5-9-23(24)25(28)26-15-17-32-18-16-26/h2-14H,15-19H2,1H3
InChIKeyXCLYFUTXCMQKKS-UHFFFAOYSA-N
MW466.56 g/mol
LogP3.56
Rot. Bonds7

About N-benzyl-4-methoxy-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide

N-benzyl-4-methoxy-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide (PubChem CID 1109506) has the molecular formula C25H26N2O5S and a molecular weight of 466.56 g/mol. Its IUPAC name is N-benzyl-4-methoxy-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-methoxy-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
PubChem CID1109506
Molecular FormulaC25H26N2O5S
Molecular Weight466.56 g/mol
Exact Mass466.16
IUPAC NameN-benzyl-4-methoxy-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N2CCOCC2)cc1
InChIInChI=1S/C25H26N2O5S/c1-31-21-11-13-22(14-12-21)33(29,30)27(19-20-7-3-2-4-8-20)24-10-6-5-9-23(24)25(28)26-15-17-32-18-16-26/h2-14H,15-19H2,1H3
InChIKeyXCLYFUTXCMQKKS-UHFFFAOYSA-N
XLogP3.56
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methoxy-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of N-benzyl-4-methoxy-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide (CID 1109506) is N-benzyl-4-methoxy-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-benzyl-4-methoxy-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-benzyl-4-methoxy-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide is COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N2CCOCC2)cc1.
What is the InChIKey of N-benzyl-4-methoxy-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is XCLYFUTXCMQKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O5S/c1-31-21-11-13-22(14-12-21)33(29,30)27(19-20-7-3-2-4-8-20)24-10-6-5-9-23(24)25(28)26-15-17-32-18-16-26/h2-14H,15-19H2,1H3.
What are the key properties of N-benzyl-4-methoxy-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide?
N-benzyl-4-methoxy-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide has a molecular weight of 466.56 g/mol, XLogP of 3.56, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methoxy-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 1109506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).