2,4-dichloro-N-(3-fluorophenyl)-5-morpholin-4-ylsulfonylbenzamide

C17H15Cl2FN2O4S — CID 1356130

IUPAC2,4-dichloro-N-(3-fluorophenyl)-5-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1cccc(F)c1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl
InChIInChI=1S/C17H15Cl2FN2O4S/c18-14-10-15(19)16(27(24,25)22-4-6-26-7-5-22)9-13(14)17(23)21-12-3-1-2-11(20)8-12/h1-3,8-10H,4-7H2,(H,21,23)
InChIKeyWFSFEJJQFJYRFU-UHFFFAOYSA-N
MW433.29 g/mol
LogP3.41
Rot. Bonds4

About 2,4-dichloro-N-(3-fluorophenyl)-5-morpholin-4-ylsulfonylbenzamide

2,4-dichloro-N-(3-fluorophenyl)-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 1356130) has the molecular formula C17H15Cl2FN2O4S and a molecular weight of 433.29 g/mol. Its IUPAC name is 2,4-dichloro-N-(3-fluorophenyl)-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(3-fluorophenyl)-5-morpholin-4-ylsulfonylbenzamide
PubChem CID1356130
Molecular FormulaC17H15Cl2FN2O4S
Molecular Weight433.29 g/mol
Exact Mass432.01
IUPAC Name2,4-dichloro-N-(3-fluorophenyl)-5-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1cccc(F)c1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl
InChIInChI=1S/C17H15Cl2FN2O4S/c18-14-10-15(19)16(27(24,25)22-4-6-26-7-5-22)9-13(14)17(23)21-12-3-1-2-11(20)8-12/h1-3,8-10H,4-7H2,(H,21,23)
InChIKeyWFSFEJJQFJYRFU-UHFFFAOYSA-N
XLogP3.41
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.29
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(3-fluorophenyl)-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 2,4-dichloro-N-(3-fluorophenyl)-5-morpholin-4-ylsulfonylbenzamide (CID 1356130) is 2,4-dichloro-N-(3-fluorophenyl)-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 2,4-dichloro-N-(3-fluorophenyl)-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 2,4-dichloro-N-(3-fluorophenyl)-5-morpholin-4-ylsulfonylbenzamide is O=C(Nc1cccc(F)c1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(3-fluorophenyl)-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is WFSFEJJQFJYRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2FN2O4S/c18-14-10-15(19)16(27(24,25)22-4-6-26-7-5-22)9-13(14)17(23)21-12-3-1-2-11(20)8-12/h1-3,8-10H,4-7H2,(H,21,23).
What are the key properties of 2,4-dichloro-N-(3-fluorophenyl)-5-morpholin-4-ylsulfonylbenzamide?
2,4-dichloro-N-(3-fluorophenyl)-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 433.29 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(3-fluorophenyl)-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 1356130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).