6-chloro-2-fluoro-3-(propylsulfonylamino)-N-[6-(thiophen-2-ylmethylamino)-3-pyridinyl]benzamide

C20H20ClFN4O3S2 — CID 59418494

IUPAC6-chloro-2-fluoro-3-(propylsulfonylamino)-N-[6-(thiophen-2-ylmethylamino)-3-pyridinyl]benzamide
SMILESCCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(NCc3cccs3)nc2)c1F
InChIInChI=1S/C20H20ClFN4O3S2/c1-2-10-31(28,29)26-16-7-6-15(21)18(19(16)22)20(27)25-13-5-8-17(23-11-13)24-12-14-4-3-9-30-14/h3-9,11,26H,2,10,12H2,1H3,(H,23,24)(H,25,27)
InChIKeyNZRAONTUJYLWKK-UHFFFAOYSA-N
MW482.99 g/mol
LogP4.95
Rot. Bonds9

About 6-chloro-2-fluoro-3-(propylsulfonylamino)-N-[6-(thiophen-2-ylmethylamino)-3-pyridinyl]benzamide

6-chloro-2-fluoro-3-(propylsulfonylamino)-N-[6-(thiophen-2-ylmethylamino)-3-pyridinyl]benzamide (PubChem CID 59418494) has the molecular formula C20H20ClFN4O3S2 and a molecular weight of 482.99 g/mol. Its IUPAC name is 6-chloro-2-fluoro-3-(propylsulfonylamino)-N-[6-(thiophen-2-ylmethylamino)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name6-chloro-2-fluoro-3-(propylsulfonylamino)-N-[6-(thiophen-2-ylmethylamino)-3-pyridinyl]benzamide
PubChem CID59418494
Molecular FormulaC20H20ClFN4O3S2
Molecular Weight482.99 g/mol
Exact Mass482.06
IUPAC Name6-chloro-2-fluoro-3-(propylsulfonylamino)-N-[6-(thiophen-2-ylmethylamino)-3-pyridinyl]benzamide
SMILESCCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(NCc3cccs3)nc2)c1F
InChIInChI=1S/C20H20ClFN4O3S2/c1-2-10-31(28,29)26-16-7-6-15(21)18(19(16)22)20(27)25-13-5-8-17(23-11-13)24-12-14-4-3-9-30-14/h3-9,11,26H,2,10,12H2,1H3,(H,23,24)(H,25,27)
InChIKeyNZRAONTUJYLWKK-UHFFFAOYSA-N
XLogP4.95
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.99
LogP ≤ 54.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-fluoro-3-(propylsulfonylamino)-N-[6-(thiophen-2-ylmethylamino)-3-pyridinyl]benzamide?
The IUPAC name of 6-chloro-2-fluoro-3-(propylsulfonylamino)-N-[6-(thiophen-2-ylmethylamino)-3-pyridinyl]benzamide (CID 59418494) is 6-chloro-2-fluoro-3-(propylsulfonylamino)-N-[6-(thiophen-2-ylmethylamino)-3-pyridinyl]benzamide.
What is the SMILES notation for 6-chloro-2-fluoro-3-(propylsulfonylamino)-N-[6-(thiophen-2-ylmethylamino)-3-pyridinyl]benzamide?
The canonical SMILES for 6-chloro-2-fluoro-3-(propylsulfonylamino)-N-[6-(thiophen-2-ylmethylamino)-3-pyridinyl]benzamide is CCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(NCc3cccs3)nc2)c1F.
What is the InChIKey of 6-chloro-2-fluoro-3-(propylsulfonylamino)-N-[6-(thiophen-2-ylmethylamino)-3-pyridinyl]benzamide?
The InChIKey is NZRAONTUJYLWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN4O3S2/c1-2-10-31(28,29)26-16-7-6-15(21)18(19(16)22)20(27)25-13-5-8-17(23-11-13)24-12-14-4-3-9-30-14/h3-9,11,26H,2,10,12H2,1H3,(H,23,24)(H,25,27).
What are the key properties of 6-chloro-2-fluoro-3-(propylsulfonylamino)-N-[6-(thiophen-2-ylmethylamino)-3-pyridinyl]benzamide?
6-chloro-2-fluoro-3-(propylsulfonylamino)-N-[6-(thiophen-2-ylmethylamino)-3-pyridinyl]benzamide has a molecular weight of 482.99 g/mol, XLogP of 4.95, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-fluoro-3-(propylsulfonylamino)-N-[6-(thiophen-2-ylmethylamino)-3-pyridinyl]benzamide is sourced from PubChem (CID 59418494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).