N-(3,4-difluorophenyl)-6-methoxy-12-oxo-11,17-diazatetracyclo[11.3.1.02,11.03,8]heptadeca-3(8),4,6-triene-17-sulfonamide

C22H23F2N3O4S — CID 10161855

IUPACN-(3,4-difluorophenyl)-6-methoxy-12-oxo-11,17-diazatetracyclo[11.3.1.02,11.03,8]heptadeca-3(8),4,6-triene-17-sulfonamide
SMILESCOc1ccc2c(c1)CCN1C(=O)C3CCCC(C21)N3S(=O)(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C22H23F2N3O4S/c1-31-15-6-7-16-13(11-15)9-10-26-21(16)19-3-2-4-20(22(26)28)27(19)32(29,30)25-14-5-8-17(23)18(24)12-14/h5-8,11-12,19-21,25H,2-4,9-10H2,1H3
InChIKeyLEYPVJALVRIIQN-UHFFFAOYSA-N
MW463.51 g/mol
LogP2.99
Rot. Bonds4

About N-(3,4-difluorophenyl)-6-methoxy-12-oxo-11,17-diazatetracyclo[11.3.1.02,11.03,8]heptadeca-3(8),4,6-triene-17-sulfonamide

N-(3,4-difluorophenyl)-6-methoxy-12-oxo-11,17-diazatetracyclo[11.3.1.02,11.03,8]heptadeca-3(8),4,6-triene-17-sulfonamide (PubChem CID 10161855) has the molecular formula C22H23F2N3O4S and a molecular weight of 463.51 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-6-methoxy-12-oxo-11,17-diazatetracyclo[11.3.1.02,11.03,8]heptadeca-3(8),4,6-triene-17-sulfonamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-6-methoxy-12-oxo-11,17-diazatetracyclo[11.3.1.02,11.03,8]heptadeca-3(8),4,6-triene-17-sulfonamide
PubChem CID10161855
Molecular FormulaC22H23F2N3O4S
Molecular Weight463.51 g/mol
Exact Mass463.14
IUPAC NameN-(3,4-difluorophenyl)-6-methoxy-12-oxo-11,17-diazatetracyclo[11.3.1.02,11.03,8]heptadeca-3(8),4,6-triene-17-sulfonamide
SMILESCOc1ccc2c(c1)CCN1C(=O)C3CCCC(C21)N3S(=O)(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C22H23F2N3O4S/c1-31-15-6-7-16-13(11-15)9-10-26-21(16)19-3-2-4-20(22(26)28)27(19)32(29,30)25-14-5-8-17(23)18(24)12-14/h5-8,11-12,19-21,25H,2-4,9-10H2,1H3
InChIKeyLEYPVJALVRIIQN-UHFFFAOYSA-N
XLogP2.99
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.51
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3,4-difluorophenyl)-6-methoxy-12-oxo-11,17-diazatetracyclo[11.3.1.02,11.03,8]heptadeca-3(8),4,6-triene-17-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methoxy-17-[(6-methoxy-3-pyridinyl)amino]sulfanyl-11,17-diazatetracyclo[11.3.1.02,11.03,8]heptadeca-3(8),4,6-trien-12-one
CID 142184684
5-methoxy-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),3,5-trien-16-one
CID 23262749
3-methoxy-12-methylsulfonyl-6,8a,9,10,11,12a,13,13a-octahydro-5H-isoquinolino[2,1-g][1,6]naphthyridin-8-one
CID 19748145
9-methoxy-1,2-dimethyl-3-propyl-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one
CID 142184615
N-(3,4-difluorophenyl)-2,4-dimethoxybenzenesulfonamide
CID 22773465
(11bS)-9-methoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
CID 67568151
17-[2-(4-fluorophenyl)-2-oxoethyl]-4,6-dimethoxy-11,17-diazatetracyclo[11.3.1.02,11.03,8]heptadeca-3(8),4,6-trien-12-one
CID 142184743
9-methoxy-2,3,4,4a,6,7,11b,12,13,13a-decahydro-1H-isoquinolino[2,1-a]quinoline
CID 23261897
N-(3,4-difluorophenyl)-4-methoxy-2-nitrobenzenesulfonamide
CID 18148015
N-tert-butyl-4,6-dimethoxy-12-oxo-11,17-diazatetracyclo[11.3.1.02,11.03,8]heptadeca-3(8),4,6-triene-17-carboxamide
CID 10179188
N-(3,4-difluorophenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106060062
N-(4-fluoro-3-methylphenyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62810888

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-6-methoxy-12-oxo-11,17-diazatetracyclo[11.3.1.02,11.03,8]heptadeca-3(8),4,6-triene-17-sulfonamide?
The IUPAC name of N-(3,4-difluorophenyl)-6-methoxy-12-oxo-11,17-diazatetracyclo[11.3.1.02,11.03,8]heptadeca-3(8),4,6-triene-17-sulfonamide (CID 10161855) is N-(3,4-difluorophenyl)-6-methoxy-12-oxo-11,17-diazatetracyclo[11.3.1.02,11.03,8]heptadeca-3(8),4,6-triene-17-sulfonamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-6-methoxy-12-oxo-11,17-diazatetracyclo[11.3.1.02,11.03,8]heptadeca-3(8),4,6-triene-17-sulfonamide?
The canonical SMILES for N-(3,4-difluorophenyl)-6-methoxy-12-oxo-11,17-diazatetracyclo[11.3.1.02,11.03,8]heptadeca-3(8),4,6-triene-17-sulfonamide is COc1ccc2c(c1)CCN1C(=O)C3CCCC(C21)N3S(=O)(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-6-methoxy-12-oxo-11,17-diazatetracyclo[11.3.1.02,11.03,8]heptadeca-3(8),4,6-triene-17-sulfonamide?
The InChIKey is LEYPVJALVRIIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N3O4S/c1-31-15-6-7-16-13(11-15)9-10-26-21(16)19-3-2-4-20(22(26)28)27(19)32(29,30)25-14-5-8-17(23)18(24)12-14/h5-8,11-12,19-21,25H,2-4,9-10H2,1H3.
What are the key properties of N-(3,4-difluorophenyl)-6-methoxy-12-oxo-11,17-diazatetracyclo[11.3.1.02,11.03,8]heptadeca-3(8),4,6-triene-17-sulfonamide?
N-(3,4-difluorophenyl)-6-methoxy-12-oxo-11,17-diazatetracyclo[11.3.1.02,11.03,8]heptadeca-3(8),4,6-triene-17-sulfonamide has a molecular weight of 463.51 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-6-methoxy-12-oxo-11,17-diazatetracyclo[11.3.1.02,11.03,8]heptadeca-3(8),4,6-triene-17-sulfonamide is sourced from PubChem (CID 10161855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).