4-fluoro-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide

C18H17FN2O3S — CID 16823207

IUPAC4-fluoro-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide
SMILESCC1C(=O)N2CCCc3cc(NS(=O)(=O)c4ccc(F)cc4)cc1c32
InChIInChI=1S/C18H17FN2O3S/c1-11-16-10-14(9-12-3-2-8-21(17(12)16)18(11)22)20-25(23,24)15-6-4-13(19)5-7-15/h4-7,9-11,20H,2-3,8H2,1H3
InChIKeyDCNZPEZRBYZCRB-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.02
Rot. Bonds3

About 4-fluoro-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide

4-fluoro-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide (PubChem CID 16823207) has the molecular formula C18H17FN2O3S and a molecular weight of 360.41 g/mol. Its IUPAC name is 4-fluoro-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide
PubChem CID16823207
Molecular FormulaC18H17FN2O3S
Molecular Weight360.41 g/mol
Exact Mass360.09
IUPAC Name4-fluoro-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide
SMILESCC1C(=O)N2CCCc3cc(NS(=O)(=O)c4ccc(F)cc4)cc1c32
InChIInChI=1S/C18H17FN2O3S/c1-11-16-10-14(9-12-3-2-8-21(17(12)16)18(11)22)20-25(23,24)15-6-4-13(19)5-7-15/h4-7,9-11,20H,2-3,8H2,1H3
InChIKeyDCNZPEZRBYZCRB-UHFFFAOYSA-N
XLogP3.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-Ethyl-2-Oxo-1,2-Dihydrobenzo[cd]indol-6-Yl)benzenesulfonamide
CID 6611008
4-chloro-N-(2-oxo-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinolin-8-yl)benzenesulfonamide
CID 7161332
N-butyl-4-oxo-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinoline-8-sulfonamide
CID 7526368
11-oxo-N-phenyl-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-triene-6-sulfonamide
CID 7526462
2-fluoro-N-(2-oxo-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinolin-8-yl)benzamide
CID 7526519
3-Methyl-6-(piperidine-1-sulfonyl)-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-2-one
CID 16803351
N-(1-methyl-2-oxo-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinolin-8-yl)butyramide
CID 18577989
2-fluoro-N-(1-methyl-2-oxo-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinolin-8-yl)benzamide
CID 18577995
N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)-4-methylbenzenesulfonamide
CID 1069056
N-methyl-N-(1-methylpiperidin-4-yl)-1-[4-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole-3-carboxamide
CID 46891111
N-methyl-N-(1-methylpiperidin-4-yl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole-3-carboxamide
CID 46891113
N-[1'-acetyl-2-cyclopropyl-1-(4-fluorophenyl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-yl]-3-fluorobenzamide
CID 118179218

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide (CID 16823207) is 4-fluoro-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide is CC1C(=O)N2CCCc3cc(NS(=O)(=O)c4ccc(F)cc4)cc1c32.
What is the InChIKey of 4-fluoro-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide?
The InChIKey is DCNZPEZRBYZCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3S/c1-11-16-10-14(9-12-3-2-8-21(17(12)16)18(11)22)20-25(23,24)15-6-4-13(19)5-7-15/h4-7,9-11,20H,2-3,8H2,1H3.
What are the key properties of 4-fluoro-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide?
4-fluoro-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide has a molecular weight of 360.41 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide is sourced from PubChem (CID 16823207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).