5-[(4-fluoro-2-pyridinyl)sulfonyl]-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene

C19H18FN3O2S — CID 58258803

IUPAC5-[(4-fluoro-2-pyridinyl)sulfonyl]-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
SMILESCn1c2c(c3cc(S(=O)(=O)c4cc(F)ccn4)ccc31)C1CCC(C2)N1
InChIInChI=1S/C19H18FN3O2S/c1-23-16-5-3-13(26(24,25)18-8-11(20)6-7-21-18)10-14(16)19-15-4-2-12(22-15)9-17(19)23/h3,5-8,10,12,15,22H,2,4,9H2,1H3
InChIKeyPDTXNUCBVNUQKF-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.89
Rot. Bonds2

About 5-[(4-fluoro-2-pyridinyl)sulfonyl]-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene

5-[(4-fluoro-2-pyridinyl)sulfonyl]-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene (PubChem CID 58258803) has the molecular formula C19H18FN3O2S and a molecular weight of 371.44 g/mol. Its IUPAC name is 5-[(4-fluoro-2-pyridinyl)sulfonyl]-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene.

Molecular Properties

Compound Name5-[(4-fluoro-2-pyridinyl)sulfonyl]-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
PubChem CID58258803
Molecular FormulaC19H18FN3O2S
Molecular Weight371.44 g/mol
Exact Mass371.11
IUPAC Name5-[(4-fluoro-2-pyridinyl)sulfonyl]-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
SMILESCn1c2c(c3cc(S(=O)(=O)c4cc(F)ccn4)ccc31)C1CCC(C2)N1
InChIInChI=1S/C19H18FN3O2S/c1-23-16-5-3-13(26(24,25)18-8-11(20)6-7-21-18)10-14(16)19-15-4-2-12(22-15)9-17(19)23/h3,5-8,10,12,15,22H,2,4,9H2,1H3
InChIKeyPDTXNUCBVNUQKF-UHFFFAOYSA-N
XLogP2.89
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluoro-2-pyridinyl)sulfonyl]-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene?
The IUPAC name of 5-[(4-fluoro-2-pyridinyl)sulfonyl]-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene (CID 58258803) is 5-[(4-fluoro-2-pyridinyl)sulfonyl]-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene.
What is the SMILES notation for 5-[(4-fluoro-2-pyridinyl)sulfonyl]-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene?
The canonical SMILES for 5-[(4-fluoro-2-pyridinyl)sulfonyl]-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene is Cn1c2c(c3cc(S(=O)(=O)c4cc(F)ccn4)ccc31)C1CCC(C2)N1.
What is the InChIKey of 5-[(4-fluoro-2-pyridinyl)sulfonyl]-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene?
The InChIKey is PDTXNUCBVNUQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2S/c1-23-16-5-3-13(26(24,25)18-8-11(20)6-7-21-18)10-14(16)19-15-4-2-12(22-15)9-17(19)23/h3,5-8,10,12,15,22H,2,4,9H2,1H3.
What are the key properties of 5-[(4-fluoro-2-pyridinyl)sulfonyl]-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene?
5-[(4-fluoro-2-pyridinyl)sulfonyl]-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene has a molecular weight of 371.44 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluoro-2-pyridinyl)sulfonyl]-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene is sourced from PubChem (CID 58258803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).