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

C18H20N2O5S — CID 984653

IUPAC3-methoxy-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C18H20N2O5S/c1-24-16-3-2-4-17(13-16)26(22,23)19-15-7-5-14(6-8-15)18(21)20-9-11-25-12-10-20/h2-8,13,19H,9-12H2,1H3
InChIKeyOKHDXCHPPFIZFX-UHFFFAOYSA-N
MW376.43 g/mol
LogP1.97
Rot. Bonds5

About 3-methoxy-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide

3-methoxy-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide (PubChem CID 984653) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is 3-methoxy-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-methoxy-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
PubChem CID984653
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC Name3-methoxy-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C18H20N2O5S/c1-24-16-3-2-4-17(13-16)26(22,23)19-15-7-5-14(6-8-15)18(21)20-9-11-25-12-10-20/h2-8,13,19H,9-12H2,1H3
InChIKeyOKHDXCHPPFIZFX-UHFFFAOYSA-N
XLogP1.97
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of 3-methoxy-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide (CID 984653) is 3-methoxy-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-methoxy-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-methoxy-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide is COc1cccc(S(=O)(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)c1.
What is the InChIKey of 3-methoxy-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is OKHDXCHPPFIZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-24-16-3-2-4-17(13-16)26(22,23)19-15-7-5-14(6-8-15)18(21)20-9-11-25-12-10-20/h2-8,13,19H,9-12H2,1H3.
What are the key properties of 3-methoxy-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide?
3-methoxy-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide has a molecular weight of 376.43 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 984653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).