2-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)benzenesulfonamide

C16H16Cl2N2O3S — CID 4816803

IUPAC2-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)ccc1N1CCOCC1)c1ccccc1Cl
InChIInChI=1S/C16H16Cl2N2O3S/c17-12-5-6-15(20-7-9-23-10-8-20)14(11-12)19-24(21,22)16-4-2-1-3-13(16)18/h1-6,11,19H,7-10H2
InChIKeyQWRRIMRJEWCHDB-UHFFFAOYSA-N
MW387.29 g/mol
LogP3.63
Rot. Bonds4

About 2-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)benzenesulfonamide

2-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)benzenesulfonamide (PubChem CID 4816803) has the molecular formula C16H16Cl2N2O3S and a molecular weight of 387.29 g/mol. Its IUPAC name is 2-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)benzenesulfonamide
PubChem CID4816803
Molecular FormulaC16H16Cl2N2O3S
Molecular Weight387.29 g/mol
Exact Mass386.03
IUPAC Name2-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)ccc1N1CCOCC1)c1ccccc1Cl
InChIInChI=1S/C16H16Cl2N2O3S/c17-12-5-6-15(20-7-9-23-10-8-20)14(11-12)19-24(21,22)16-4-2-1-3-13(16)18/h1-6,11,19H,7-10H2
InChIKeyQWRRIMRJEWCHDB-UHFFFAOYSA-N
XLogP3.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.29
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)benzenesulfonamide (CID 4816803) is 2-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)benzenesulfonamide is O=S(=O)(Nc1cc(Cl)ccc1N1CCOCC1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)benzenesulfonamide?
The InChIKey is QWRRIMRJEWCHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O3S/c17-12-5-6-15(20-7-9-23-10-8-20)14(11-12)19-24(21,22)16-4-2-1-3-13(16)18/h1-6,11,19H,7-10H2.
What are the key properties of 2-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)benzenesulfonamide?
2-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)benzenesulfonamide has a molecular weight of 387.29 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 4816803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).