2,5-dichloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide

C18H20Cl2N2O3S — CID 9190612

IUPAC2,5-dichloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1CN1CCOCC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C18H20Cl2N2O3S/c19-16-5-6-17(20)18(11-16)26(23,24)21-12-14-3-1-2-4-15(14)13-22-7-9-25-10-8-22/h1-6,11,21H,7-10,12-13H2
InChIKeyLPJIXHAYLKCHEH-UHFFFAOYSA-N
MW415.34 g/mol
LogP3.30
Rot. Bonds6

About 2,5-dichloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide

2,5-dichloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide (PubChem CID 9190612) has the molecular formula C18H20Cl2N2O3S and a molecular weight of 415.34 g/mol. Its IUPAC name is 2,5-dichloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide
PubChem CID9190612
Molecular FormulaC18H20Cl2N2O3S
Molecular Weight415.34 g/mol
Exact Mass414.06
IUPAC Name2,5-dichloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1CN1CCOCC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C18H20Cl2N2O3S/c19-16-5-6-17(20)18(11-16)26(23,24)21-12-14-3-1-2-4-15(14)13-22-7-9-25-10-8-22/h1-6,11,21H,7-10,12-13H2
InChIKeyLPJIXHAYLKCHEH-UHFFFAOYSA-N
XLogP3.30
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.34
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 9190635
2,5-dichloro-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 4858598
2,5-dimethoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 27665440
4-methylsulfonyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 31534702
2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]ethanesulfonamide
CID 107650766
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 9190592
2,5-dichloro-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 91967427
3-[(4-chlorophenyl)methyl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 100753516
2,5-dichloro-N-[(Z)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]benzenesulfonamide
CID 23095152
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3,4-dihydronaphthalene-2-sulfonamide
CID 18197798
2,4-dichloro-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 3801591
2,5-dichloro-N-[(2,5-dimethylfuran-3-yl)methyl]benzenesulfonamide
CID 86952203

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide (CID 9190612) is 2,5-dichloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide is O=S(=O)(NCc1ccccc1CN1CCOCC1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is LPJIXHAYLKCHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O3S/c19-16-5-6-17(20)18(11-16)26(23,24)21-12-14-3-1-2-4-15(14)13-22-7-9-25-10-8-22/h1-6,11,21H,7-10,12-13H2.
What are the key properties of 2,5-dichloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide?
2,5-dichloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide has a molecular weight of 415.34 g/mol, XLogP of 3.30, 6 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-ylmethyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 9190612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).