2,5-dichloro-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide

C16H16Cl2N2O5S2 — CID 1186259

IUPAC2,5-dichloro-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H16Cl2N2O5S2/c17-12-1-6-15(18)16(11-12)26(21,22)19-13-2-4-14(5-3-13)27(23,24)20-7-9-25-10-8-20/h1-6,11,19H,7-10H2
InChIKeyGOSOXYYFLKUZFK-UHFFFAOYSA-N
MW451.35 g/mol
LogP2.82
Rot. Bonds5

About 2,5-dichloro-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide

2,5-dichloro-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide (PubChem CID 1186259) has the molecular formula C16H16Cl2N2O5S2 and a molecular weight of 451.35 g/mol. Its IUPAC name is 2,5-dichloro-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
PubChem CID1186259
Molecular FormulaC16H16Cl2N2O5S2
Molecular Weight451.35 g/mol
Exact Mass449.99
IUPAC Name2,5-dichloro-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H16Cl2N2O5S2/c17-12-1-6-15(18)16(11-12)26(21,22)19-13-2-4-14(5-3-13)27(23,24)20-7-9-25-10-8-20/h1-6,11,19H,7-10H2
InChIKeyGOSOXYYFLKUZFK-UHFFFAOYSA-N
XLogP2.82
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.35
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide (CID 1186259) is 2,5-dichloro-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide?
The InChIKey is GOSOXYYFLKUZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O5S2/c17-12-1-6-15(18)16(11-12)26(21,22)19-13-2-4-14(5-3-13)27(23,24)20-7-9-25-10-8-20/h1-6,11,19H,7-10H2.
What are the key properties of 2,5-dichloro-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide?
2,5-dichloro-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide has a molecular weight of 451.35 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide is sourced from PubChem (CID 1186259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).