N-[6-chloro-4-(5-fluoro-2,3,6,7-tetrahydroindole-1-carbonyl)-2-pyridinyl]methanesulfonamide

C15H15ClFN3O3S — CID 89009638

IUPACN-[6-chloro-4-(5-fluoro-2,3,6,7-tetrahydroindole-1-carbonyl)-2-pyridinyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(C(=O)N2CCC3=C2CCC(F)=C3)cc(Cl)n1
InChIInChI=1S/C15H15ClFN3O3S/c1-24(22,23)19-14-8-10(7-13(16)18-14)15(21)20-5-4-9-6-11(17)2-3-12(9)20/h6-8H,2-5H2,1H3,(H,18,19)
InChIKeyLSNRHAXAXLVLQU-UHFFFAOYSA-N
MW371.82 g/mol
LogP2.85
Rot. Bonds3

About N-[6-chloro-4-(5-fluoro-2,3,6,7-tetrahydroindole-1-carbonyl)-2-pyridinyl]methanesulfonamide

N-[6-chloro-4-(5-fluoro-2,3,6,7-tetrahydroindole-1-carbonyl)-2-pyridinyl]methanesulfonamide (PubChem CID 89009638) has the molecular formula C15H15ClFN3O3S and a molecular weight of 371.82 g/mol. Its IUPAC name is N-[6-chloro-4-(5-fluoro-2,3,6,7-tetrahydroindole-1-carbonyl)-2-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-chloro-4-(5-fluoro-2,3,6,7-tetrahydroindole-1-carbonyl)-2-pyridinyl]methanesulfonamide
PubChem CID89009638
Molecular FormulaC15H15ClFN3O3S
Molecular Weight371.82 g/mol
Exact Mass371.05
IUPAC NameN-[6-chloro-4-(5-fluoro-2,3,6,7-tetrahydroindole-1-carbonyl)-2-pyridinyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(C(=O)N2CCC3=C2CCC(F)=C3)cc(Cl)n1
InChIInChI=1S/C15H15ClFN3O3S/c1-24(22,23)19-14-8-10(7-13(16)18-14)15(21)20-5-4-9-6-11(17)2-3-12(9)20/h6-8H,2-5H2,1H3,(H,18,19)
InChIKeyLSNRHAXAXLVLQU-UHFFFAOYSA-N
XLogP2.85
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-4-(5-fluoro-2,3,6,7-tetrahydroindole-1-carbonyl)-2-pyridinyl]methanesulfonamide?
The IUPAC name of N-[6-chloro-4-(5-fluoro-2,3,6,7-tetrahydroindole-1-carbonyl)-2-pyridinyl]methanesulfonamide (CID 89009638) is N-[6-chloro-4-(5-fluoro-2,3,6,7-tetrahydroindole-1-carbonyl)-2-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[6-chloro-4-(5-fluoro-2,3,6,7-tetrahydroindole-1-carbonyl)-2-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[6-chloro-4-(5-fluoro-2,3,6,7-tetrahydroindole-1-carbonyl)-2-pyridinyl]methanesulfonamide is CS(=O)(=O)Nc1cc(C(=O)N2CCC3=C2CCC(F)=C3)cc(Cl)n1.
What is the InChIKey of N-[6-chloro-4-(5-fluoro-2,3,6,7-tetrahydroindole-1-carbonyl)-2-pyridinyl]methanesulfonamide?
The InChIKey is LSNRHAXAXLVLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O3S/c1-24(22,23)19-14-8-10(7-13(16)18-14)15(21)20-5-4-9-6-11(17)2-3-12(9)20/h6-8H,2-5H2,1H3,(H,18,19).
What are the key properties of N-[6-chloro-4-(5-fluoro-2,3,6,7-tetrahydroindole-1-carbonyl)-2-pyridinyl]methanesulfonamide?
N-[6-chloro-4-(5-fluoro-2,3,6,7-tetrahydroindole-1-carbonyl)-2-pyridinyl]methanesulfonamide has a molecular weight of 371.82 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-4-(5-fluoro-2,3,6,7-tetrahydroindole-1-carbonyl)-2-pyridinyl]methanesulfonamide is sourced from PubChem (CID 89009638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).