1-fluoro-N-(11-methyl-12-oxospiro[8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaene-15,1'-cyclopropane]-16-yl)ethanesulfonamide

C25H30FN3O4S — CID 170200009

IUPAC1-fluoro-N-(11-methyl-12-oxospiro[8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaene-15,1'-cyclopropane]-16-yl)ethanesulfonamide
SMILESCC(F)S(=O)(=O)NC1C2Cc3cccc(c3)-c3ccccc3OCCN(C)C(=O)N2CC12CC2
InChIInChI=1S/C25H30FN3O4S/c1-17(26)34(31,32)27-23-21-15-18-6-5-7-19(14-18)20-8-3-4-9-22(20)33-13-12-28(2)24(30)29(21)16-25(23)10-11-25/h3-9,14,17,21,23,27H,10-13,15-16H2,1-2H3
InChIKeyXQRNOQMHLROIMK-UHFFFAOYSA-N
MW487.60 g/mol
LogP3.41
Rot. Bonds3

About 1-fluoro-N-(11-methyl-12-oxospiro[8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaene-15,1'-cyclopropane]-16-yl)ethanesulfonamide

1-fluoro-N-(11-methyl-12-oxospiro[8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaene-15,1'-cyclopropane]-16-yl)ethanesulfonamide (PubChem CID 170200009) has the molecular formula C25H30FN3O4S and a molecular weight of 487.60 g/mol. Its IUPAC name is 1-fluoro-N-(11-methyl-12-oxospiro[8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaene-15,1'-cyclopropane]-16-yl)ethanesulfonamide.

Molecular Properties

Compound Name1-fluoro-N-(11-methyl-12-oxospiro[8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaene-15,1'-cyclopropane]-16-yl)ethanesulfonamide
PubChem CID170200009
Molecular FormulaC25H30FN3O4S
Molecular Weight487.60 g/mol
Exact Mass487.19
IUPAC Name1-fluoro-N-(11-methyl-12-oxospiro[8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaene-15,1'-cyclopropane]-16-yl)ethanesulfonamide
SMILESCC(F)S(=O)(=O)NC1C2Cc3cccc(c3)-c3ccccc3OCCN(C)C(=O)N2CC12CC2
InChIInChI=1S/C25H30FN3O4S/c1-17(26)34(31,32)27-23-21-15-18-6-5-7-19(14-18)20-8-3-4-9-22(20)33-13-12-28(2)24(30)29(21)16-25(23)10-11-25/h3-9,14,17,21,23,27H,10-13,15-16H2,1-2H3
InChIKeyXQRNOQMHLROIMK-UHFFFAOYSA-N
XLogP3.41
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.60
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-fluoro-N-(11-methyl-12-oxospiro[8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaene-15,1'-cyclopropane]-16-yl)ethanesulfonamide with MolForge

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Related Compounds

2-fluoro-N-[(16S,17S)-11-methyl-12-oxospiro[8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaene-15,1'-cyclopropane]-16-yl]propane-2-sulfonamide
CID 176836377
N-[(16R,17S)-15,15-difluoro-11-methyl-12-oxo-8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaen-16-yl]-1,1-difluoromethanesulfonamide
CID 169296454
N-[(16R,17S)-15,15-difluoro-11-methyl-12-oxo-8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaen-16-yl]-1-fluoromethanesulfonamide
CID 169173859
N-(15,15-difluoro-11-oxo-8-oxa-12-azatetracyclo[17.3.1.02,7.012,17]tricosa-1(22),2,4,6,19(23),20-hexaen-16-yl)-1,1-difluoromethanesulfonamide
CID 170199859
16-(ethylsulfanylamino)-23-fluoro-11-methylspiro[8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaene-15,1'-cyclopropane]-12-one
CID 169174032
N-(15,23-difluoro-11-methyl-12-oxo-8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaen-16-yl)-1-fluoroethanesulfonamide
CID 169174029
1,1-difluoro-N-[(16S,17S)-11-oxo-8-oxa-12-azatetracyclo[17.3.1.02,7.012,17]tricosa-1(22),2,4,6,19(23),20-hexaen-16-yl]methanesulfonamide
CID 170199531
N-(12-oxo-8,11-dioxa-13-azatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaen-16-yl)ethanesulfonamide
CID 169296528
1-fluoro-N-[(15S,16R,17S)-15-fluoro-11-oxo-8-oxa-12-azatetracyclo[17.3.1.02,7.012,17]tricosa-1(22),2,4,6,19(23),20-hexaen-16-yl]cyclopropane-1-sulfonamide
CID 176836328
N-(6,15-difluoro-11-oxo-8-oxa-12-azatetracyclo[17.3.1.02,7.012,17]tricosa-1(22),2(7),3,5,19(23),20-hexaen-16-yl)-1-fluoroethanesulfonamide
CID 170199820
N-[(17R,18R)-12-oxo-8-oxa-11,13-diazatetracyclo[18.3.1.02,7.013,18]tetracosa-1(23),2,4,6,20(24),21-hexaen-17-yl]methanesulfonamide
CID 169296628
N-(14-oxo-8-oxa-13,15-diazapentacyclo[19.3.1.02,7.010,13.015,19]pentacosa-1(24),2,4,6,21(25),22-hexaen-18-yl)methanesulfonamide
CID 170293109

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-N-(11-methyl-12-oxospiro[8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaene-15,1'-cyclopropane]-16-yl)ethanesulfonamide?
The IUPAC name of 1-fluoro-N-(11-methyl-12-oxospiro[8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaene-15,1'-cyclopropane]-16-yl)ethanesulfonamide (CID 170200009) is 1-fluoro-N-(11-methyl-12-oxospiro[8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaene-15,1'-cyclopropane]-16-yl)ethanesulfonamide.
What is the SMILES notation for 1-fluoro-N-(11-methyl-12-oxospiro[8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaene-15,1'-cyclopropane]-16-yl)ethanesulfonamide?
The canonical SMILES for 1-fluoro-N-(11-methyl-12-oxospiro[8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaene-15,1'-cyclopropane]-16-yl)ethanesulfonamide is CC(F)S(=O)(=O)NC1C2Cc3cccc(c3)-c3ccccc3OCCN(C)C(=O)N2CC12CC2.
What is the InChIKey of 1-fluoro-N-(11-methyl-12-oxospiro[8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaene-15,1'-cyclopropane]-16-yl)ethanesulfonamide?
The InChIKey is XQRNOQMHLROIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O4S/c1-17(26)34(31,32)27-23-21-15-18-6-5-7-19(14-18)20-8-3-4-9-22(20)33-13-12-28(2)24(30)29(21)16-25(23)10-11-25/h3-9,14,17,21,23,27H,10-13,15-16H2,1-2H3.
What are the key properties of 1-fluoro-N-(11-methyl-12-oxospiro[8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaene-15,1'-cyclopropane]-16-yl)ethanesulfonamide?
1-fluoro-N-(11-methyl-12-oxospiro[8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaene-15,1'-cyclopropane]-16-yl)ethanesulfonamide has a molecular weight of 487.60 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-N-(11-methyl-12-oxospiro[8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaene-15,1'-cyclopropane]-16-yl)ethanesulfonamide is sourced from PubChem (CID 170200009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).