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

C20H24ClFN4O3S — CID 59418552

IUPAC6-chloro-N-[6-(cyclopentylamino)-3-pyridinyl]-2-fluoro-3-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(NC3CCCC3)nc2)c1F
InChIInChI=1S/C20H24ClFN4O3S/c1-2-11-30(28,29)26-16-9-8-15(21)18(19(16)22)20(27)25-14-7-10-17(23-12-14)24-13-5-3-4-6-13/h7-10,12-13,26H,2-6,11H2,1H3,(H,23,24)(H,25,27)
InChIKeyFNTLCAGZNVQXTA-UHFFFAOYSA-N
MW454.96 g/mol
LogP4.63
Rot. Bonds8

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

6-chloro-N-[6-(cyclopentylamino)-3-pyridinyl]-2-fluoro-3-(propylsulfonylamino)benzamide (PubChem CID 59418552) has the molecular formula C20H24ClFN4O3S and a molecular weight of 454.96 g/mol. Its IUPAC name is 6-chloro-N-[6-(cyclopentylamino)-3-pyridinyl]-2-fluoro-3-(propylsulfonylamino)benzamide.

Molecular Properties

Compound Name6-chloro-N-[6-(cyclopentylamino)-3-pyridinyl]-2-fluoro-3-(propylsulfonylamino)benzamide
PubChem CID59418552
Molecular FormulaC20H24ClFN4O3S
Molecular Weight454.96 g/mol
Exact Mass454.12
IUPAC Name6-chloro-N-[6-(cyclopentylamino)-3-pyridinyl]-2-fluoro-3-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(NC3CCCC3)nc2)c1F
InChIInChI=1S/C20H24ClFN4O3S/c1-2-11-30(28,29)26-16-9-8-15(21)18(19(16)22)20(27)25-14-7-10-17(23-12-14)24-13-5-3-4-6-13/h7-10,12-13,26H,2-6,11H2,1H3,(H,23,24)(H,25,27)
InChIKeyFNTLCAGZNVQXTA-UHFFFAOYSA-N
XLogP4.63
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.96
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[6-(cyclopentylamino)-3-pyridinyl]-2-fluoro-3-(propylsulfonylamino)benzamide?
The IUPAC name of 6-chloro-N-[6-(cyclopentylamino)-3-pyridinyl]-2-fluoro-3-(propylsulfonylamino)benzamide (CID 59418552) is 6-chloro-N-[6-(cyclopentylamino)-3-pyridinyl]-2-fluoro-3-(propylsulfonylamino)benzamide.
What is the SMILES notation for 6-chloro-N-[6-(cyclopentylamino)-3-pyridinyl]-2-fluoro-3-(propylsulfonylamino)benzamide?
The canonical SMILES for 6-chloro-N-[6-(cyclopentylamino)-3-pyridinyl]-2-fluoro-3-(propylsulfonylamino)benzamide is CCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(NC3CCCC3)nc2)c1F.
What is the InChIKey of 6-chloro-N-[6-(cyclopentylamino)-3-pyridinyl]-2-fluoro-3-(propylsulfonylamino)benzamide?
The InChIKey is FNTLCAGZNVQXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClFN4O3S/c1-2-11-30(28,29)26-16-9-8-15(21)18(19(16)22)20(27)25-14-7-10-17(23-12-14)24-13-5-3-4-6-13/h7-10,12-13,26H,2-6,11H2,1H3,(H,23,24)(H,25,27).
What are the key properties of 6-chloro-N-[6-(cyclopentylamino)-3-pyridinyl]-2-fluoro-3-(propylsulfonylamino)benzamide?
6-chloro-N-[6-(cyclopentylamino)-3-pyridinyl]-2-fluoro-3-(propylsulfonylamino)benzamide has a molecular weight of 454.96 g/mol, XLogP of 4.63, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[6-(cyclopentylamino)-3-pyridinyl]-2-fluoro-3-(propylsulfonylamino)benzamide is sourced from PubChem (CID 59418552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).