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

C17H20N2O5S2 — CID 1108169

IUPAC4-methyl-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C17H20N2O5S2/c1-14-2-6-16(7-3-14)25(20,21)18-15-4-8-17(9-5-15)26(22,23)19-10-12-24-13-11-19/h2-9,18H,10-13H2,1H3
InChIKeyTVJPUSBAPFFRBO-UHFFFAOYSA-N
MW396.49 g/mol
LogP1.82
Rot. Bonds5

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

4-methyl-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide (PubChem CID 1108169) has the molecular formula C17H20N2O5S2 and a molecular weight of 396.49 g/mol. Its IUPAC name is 4-methyl-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
PubChem CID1108169
Molecular FormulaC17H20N2O5S2
Molecular Weight396.49 g/mol
Exact Mass396.08
IUPAC Name4-methyl-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C17H20N2O5S2/c1-14-2-6-16(7-3-14)25(20,21)18-15-4-8-17(9-5-15)26(22,23)19-10-12-24-13-11-19/h2-9,18H,10-13H2,1H3
InChIKeyTVJPUSBAPFFRBO-UHFFFAOYSA-N
XLogP1.82
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide (CID 1108169) is 4-methyl-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1.
What is the InChIKey of 4-methyl-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide?
The InChIKey is TVJPUSBAPFFRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S2/c1-14-2-6-16(7-3-14)25(20,21)18-15-4-8-17(9-5-15)26(22,23)19-10-12-24-13-11-19/h2-9,18H,10-13H2,1H3.
What are the key properties of 4-methyl-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide?
4-methyl-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide has a molecular weight of 396.49 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide is sourced from PubChem (CID 1108169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).