6-chloro-2-fluoro-N-(6-methoxy-3-pyridinyl)-3-(propylsulfonylamino)benzamide

C16H17ClFN3O4S — CID 59418571

IUPAC6-chloro-2-fluoro-N-(6-methoxy-3-pyridinyl)-3-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(OC)nc2)c1F
InChIInChI=1S/C16H17ClFN3O4S/c1-3-8-26(23,24)21-12-6-5-11(17)14(15(12)18)16(22)20-10-4-7-13(25-2)19-9-10/h4-7,9,21H,3,8H2,1-2H3,(H,20,22)
InChIKeyPEIUDNKKXFVUJU-UHFFFAOYSA-N
MW401.85 g/mol
LogP3.29
Rot. Bonds7

About 6-chloro-2-fluoro-N-(6-methoxy-3-pyridinyl)-3-(propylsulfonylamino)benzamide

6-chloro-2-fluoro-N-(6-methoxy-3-pyridinyl)-3-(propylsulfonylamino)benzamide (PubChem CID 59418571) has the molecular formula C16H17ClFN3O4S and a molecular weight of 401.85 g/mol. Its IUPAC name is 6-chloro-2-fluoro-N-(6-methoxy-3-pyridinyl)-3-(propylsulfonylamino)benzamide.

Molecular Properties

Compound Name6-chloro-2-fluoro-N-(6-methoxy-3-pyridinyl)-3-(propylsulfonylamino)benzamide
PubChem CID59418571
Molecular FormulaC16H17ClFN3O4S
Molecular Weight401.85 g/mol
Exact Mass401.06
IUPAC Name6-chloro-2-fluoro-N-(6-methoxy-3-pyridinyl)-3-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(OC)nc2)c1F
InChIInChI=1S/C16H17ClFN3O4S/c1-3-8-26(23,24)21-12-6-5-11(17)14(15(12)18)16(22)20-10-4-7-13(25-2)19-9-10/h4-7,9,21H,3,8H2,1-2H3,(H,20,22)
InChIKeyPEIUDNKKXFVUJU-UHFFFAOYSA-N
XLogP3.29
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.85
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-fluoro-N-(6-methoxy-3-pyridinyl)-3-(propylsulfonylamino)benzamide?
The IUPAC name of 6-chloro-2-fluoro-N-(6-methoxy-3-pyridinyl)-3-(propylsulfonylamino)benzamide (CID 59418571) is 6-chloro-2-fluoro-N-(6-methoxy-3-pyridinyl)-3-(propylsulfonylamino)benzamide.
What is the SMILES notation for 6-chloro-2-fluoro-N-(6-methoxy-3-pyridinyl)-3-(propylsulfonylamino)benzamide?
The canonical SMILES for 6-chloro-2-fluoro-N-(6-methoxy-3-pyridinyl)-3-(propylsulfonylamino)benzamide is CCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(OC)nc2)c1F.
What is the InChIKey of 6-chloro-2-fluoro-N-(6-methoxy-3-pyridinyl)-3-(propylsulfonylamino)benzamide?
The InChIKey is PEIUDNKKXFVUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN3O4S/c1-3-8-26(23,24)21-12-6-5-11(17)14(15(12)18)16(22)20-10-4-7-13(25-2)19-9-10/h4-7,9,21H,3,8H2,1-2H3,(H,20,22).
What are the key properties of 6-chloro-2-fluoro-N-(6-methoxy-3-pyridinyl)-3-(propylsulfonylamino)benzamide?
6-chloro-2-fluoro-N-(6-methoxy-3-pyridinyl)-3-(propylsulfonylamino)benzamide has a molecular weight of 401.85 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-fluoro-N-(6-methoxy-3-pyridinyl)-3-(propylsulfonylamino)benzamide is sourced from PubChem (CID 59418571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).