4-methoxy-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide

C17H20N2O6S2 — CID 1144952

IUPAC4-methoxy-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C17H20N2O6S2/c1-24-15-4-8-16(9-5-15)26(20,21)18-14-2-6-17(7-3-14)27(22,23)19-10-12-25-13-11-19/h2-9,18H,10-13H2,1H3
InChIKeyXYNDNVXXBQVIAK-UHFFFAOYSA-N
MW412.49 g/mol
LogP1.52
Rot. Bonds6

About 4-methoxy-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide

4-methoxy-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide (PubChem CID 1144952) has the molecular formula C17H20N2O6S2 and a molecular weight of 412.49 g/mol. Its IUPAC name is 4-methoxy-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
PubChem CID1144952
Molecular FormulaC17H20N2O6S2
Molecular Weight412.49 g/mol
Exact Mass412.08
IUPAC Name4-methoxy-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C17H20N2O6S2/c1-24-15-4-8-16(9-5-15)26(20,21)18-14-2-6-17(7-3-14)27(22,23)19-10-12-25-13-11-19/h2-9,18H,10-13H2,1H3
InChIKeyXYNDNVXXBQVIAK-UHFFFAOYSA-N
XLogP1.52
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide (CID 1144952) is 4-methoxy-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1.
What is the InChIKey of 4-methoxy-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide?
The InChIKey is XYNDNVXXBQVIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O6S2/c1-24-15-4-8-16(9-5-15)26(20,21)18-14-2-6-17(7-3-14)27(22,23)19-10-12-25-13-11-19/h2-9,18H,10-13H2,1H3.
What are the key properties of 4-methoxy-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide?
4-methoxy-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide has a molecular weight of 412.49 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide is sourced from PubChem (CID 1144952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).