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

C12H16Cl2N2O3S — CID 779520

IUPAC2,5-dichloro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCN1CCOCC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H16Cl2N2O3S/c13-10-1-2-11(14)12(9-10)20(17,18)15-3-4-16-5-7-19-8-6-16/h1-2,9,15H,3-8H2
InChIKeyJIUOYTWTCLPDQN-UHFFFAOYSA-N
MW339.24 g/mol
LogP1.60
Rot. Bonds5

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

2,5-dichloro-N-(2-morpholin-4-ylethyl)benzenesulfonamide (PubChem CID 779520) has the molecular formula C12H16Cl2N2O3S and a molecular weight of 339.24 g/mol. Its IUPAC name is 2,5-dichloro-N-(2-morpholin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
PubChem CID779520
Molecular FormulaC12H16Cl2N2O3S
Molecular Weight339.24 g/mol
Exact Mass338.03
IUPAC Name2,5-dichloro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCN1CCOCC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H16Cl2N2O3S/c13-10-1-2-11(14)12(9-10)20(17,18)15-3-4-16-5-7-19-8-6-16/h1-2,9,15H,3-8H2
InChIKeyJIUOYTWTCLPDQN-UHFFFAOYSA-N
XLogP1.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.24
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-(2-morpholin-4-ylethyl)benzenesulfonamide (CID 779520) is 2,5-dichloro-N-(2-morpholin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-(2-morpholin-4-ylethyl)benzenesulfonamide is O=S(=O)(NCCN1CCOCC1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The InChIKey is JIUOYTWTCLPDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O3S/c13-10-1-2-11(14)12(9-10)20(17,18)15-3-4-16-5-7-19-8-6-16/h1-2,9,15H,3-8H2.
What are the key properties of 2,5-dichloro-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
2,5-dichloro-N-(2-morpholin-4-ylethyl)benzenesulfonamide has a molecular weight of 339.24 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2-morpholin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 779520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).