(NZ)-N-[14-fluoro-11-[(2-fluorophenyl)methyl]-15-methyl-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-ylidene]cyclopropanesulfonamide

C25H19F2N3O3S — CID 58240675

IUPAC(NZ)-N-[14-fluoro-11-[(2-fluorophenyl)methyl]-15-methyl-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-ylidene]cyclopropanesulfonamide
SMILESCc1cc2c3c4cccnc4o/c(=N\S(=O)(=O)C4CC4)c3n(Cc3ccccc3F)c2cc1F
InChIInChI=1S/C25H19F2N3O3S/c1-14-11-18-21(12-20(14)27)30(13-15-5-2-3-7-19(15)26)23-22(18)17-6-4-10-28-24(17)33-25(23)29-34(31,32)16-8-9-16/h2-7,10-12,16H,8-9,13H2,1H3/b29-25-
InChIKeyJPKVKNQQYBAGLS-GNVQSUKOSA-N
MW479.51 g/mol
LogP4.96
Rot. Bonds4

About (NZ)-N-[14-fluoro-11-[(2-fluorophenyl)methyl]-15-methyl-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-ylidene]cyclopropanesulfonamide

(NZ)-N-[14-fluoro-11-[(2-fluorophenyl)methyl]-15-methyl-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-ylidene]cyclopropanesulfonamide (PubChem CID 58240675) has the molecular formula C25H19F2N3O3S and a molecular weight of 479.51 g/mol. Its IUPAC name is (NZ)-N-[14-fluoro-11-[(2-fluorophenyl)methyl]-15-methyl-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-ylidene]cyclopropanesulfonamide.

Molecular Properties

Compound Name(NZ)-N-[14-fluoro-11-[(2-fluorophenyl)methyl]-15-methyl-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-ylidene]cyclopropanesulfonamide
PubChem CID58240675
Molecular FormulaC25H19F2N3O3S
Molecular Weight479.51 g/mol
Exact Mass479.11
IUPAC Name(NZ)-N-[14-fluoro-11-[(2-fluorophenyl)methyl]-15-methyl-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-ylidene]cyclopropanesulfonamide
SMILESCc1cc2c3c4cccnc4o/c(=N\S(=O)(=O)C4CC4)c3n(Cc3ccccc3F)c2cc1F
InChIInChI=1S/C25H19F2N3O3S/c1-14-11-18-21(12-20(14)27)30(13-15-5-2-3-7-19(15)26)23-22(18)17-6-4-10-28-24(17)33-25(23)29-34(31,32)16-8-9-16/h2-7,10-12,16H,8-9,13H2,1H3/b29-25-
InChIKeyJPKVKNQQYBAGLS-GNVQSUKOSA-N
XLogP4.96
TPSA77.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.51
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (NZ)-N-[14-fluoro-11-[(2-fluorophenyl)methyl]-15-methyl-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-ylidene]cyclopropanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[14-fluoro-11-[(2-fluorophenyl)methyl]-15-methyl-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-ylidene]cyclopropanesulfonamide?
The IUPAC name of (NZ)-N-[14-fluoro-11-[(2-fluorophenyl)methyl]-15-methyl-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-ylidene]cyclopropanesulfonamide (CID 58240675) is (NZ)-N-[14-fluoro-11-[(2-fluorophenyl)methyl]-15-methyl-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-ylidene]cyclopropanesulfonamide.
What is the SMILES notation for (NZ)-N-[14-fluoro-11-[(2-fluorophenyl)methyl]-15-methyl-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-ylidene]cyclopropanesulfonamide?
The canonical SMILES for (NZ)-N-[14-fluoro-11-[(2-fluorophenyl)methyl]-15-methyl-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-ylidene]cyclopropanesulfonamide is Cc1cc2c3c4cccnc4o/c(=N\S(=O)(=O)C4CC4)c3n(Cc3ccccc3F)c2cc1F.
What is the InChIKey of (NZ)-N-[14-fluoro-11-[(2-fluorophenyl)methyl]-15-methyl-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-ylidene]cyclopropanesulfonamide?
The InChIKey is JPKVKNQQYBAGLS-GNVQSUKOSA-N. The full InChI is InChI=1S/C25H19F2N3O3S/c1-14-11-18-21(12-20(14)27)30(13-15-5-2-3-7-19(15)26)23-22(18)17-6-4-10-28-24(17)33-25(23)29-34(31,32)16-8-9-16/h2-7,10-12,16H,8-9,13H2,1H3/b29-25-.
What are the key properties of (NZ)-N-[14-fluoro-11-[(2-fluorophenyl)methyl]-15-methyl-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-ylidene]cyclopropanesulfonamide?
(NZ)-N-[14-fluoro-11-[(2-fluorophenyl)methyl]-15-methyl-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-ylidene]cyclopropanesulfonamide has a molecular weight of 479.51 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[14-fluoro-11-[(2-fluorophenyl)methyl]-15-methyl-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-ylidene]cyclopropanesulfonamide is sourced from PubChem (CID 58240675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).