4-methoxy-3-methyl-N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)benzenesulfonamide

C20H22N2O4S — CID 7527013

IUPAC4-methoxy-3-methyl-N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc3c4c(c2)CCC(=O)N4CCC3)cc1C
InChIInChI=1S/C20H22N2O4S/c1-13-10-17(6-7-18(13)26-2)27(24,25)21-16-11-14-4-3-9-22-19(23)8-5-15(12-16)20(14)22/h6-7,10-12,21H,3-5,8-9H2,1-2H3
InChIKeyIYPTUZYPMPEQJA-UHFFFAOYSA-N
MW386.47 g/mol
LogP3.03
Rot. Bonds4

About 4-methoxy-3-methyl-N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)benzenesulfonamide

4-methoxy-3-methyl-N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)benzenesulfonamide (PubChem CID 7527013) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is 4-methoxy-3-methyl-N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-methyl-N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)benzenesulfonamide
PubChem CID7527013
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC Name4-methoxy-3-methyl-N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc3c4c(c2)CCC(=O)N4CCC3)cc1C
InChIInChI=1S/C20H22N2O4S/c1-13-10-17(6-7-18(13)26-2)27(24,25)21-16-11-14-4-3-9-22-19(23)8-5-15(12-16)20(14)22/h6-7,10-12,21H,3-5,8-9H2,1-2H3
InChIKeyIYPTUZYPMPEQJA-UHFFFAOYSA-N
XLogP3.03
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-(2-oxo-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinolin-8-yl)benzenesulfonamide
CID 7161333
N-(4-methoxyphenyl)-N-methyl-2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 3239722
2,4-dimethoxy-N-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)benzenesulfonamide
CID 16826960
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 3241425
N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 5307186
1-acetyl-N-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 7401518
4-methoxy-N-(4-oxo-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinolin-8-yl)benzenesulfonamide
CID 7526337
N-(2-methoxyphenethyl)-4-oxo-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinoline-8-sulfonamide
CID 7526405
N-[(2-methoxyphenyl)methyl]-11-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-triene-6-sulfonamide
CID 7526470
2,5-dimethoxy-N-(3-oxo-1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-9-yl)benzenesulfonamide
CID 7527017
N-(3-methoxyphenyl)-2-oxo-1-azatricyclo[7.3.1.0^{5,13}]trideca-5,7,9(13)-triene-7-sulfonamide
CID 7527096
N-[(2-methoxyphenyl)methyl]-2-oxo-1-azatricyclo[7.3.1.0^{5,13}]trideca-5,7,9(13)-triene-7-sulfonamide
CID 7527110

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)benzenesulfonamide?
The IUPAC name of 4-methoxy-3-methyl-N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)benzenesulfonamide (CID 7527013) is 4-methoxy-3-methyl-N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-methyl-N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-3-methyl-N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cc3c4c(c2)CCC(=O)N4CCC3)cc1C.
What is the InChIKey of 4-methoxy-3-methyl-N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)benzenesulfonamide?
The InChIKey is IYPTUZYPMPEQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-13-10-17(6-7-18(13)26-2)27(24,25)21-16-11-14-4-3-9-22-19(23)8-5-15(12-16)20(14)22/h6-7,10-12,21H,3-5,8-9H2,1-2H3.
What are the key properties of 4-methoxy-3-methyl-N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)benzenesulfonamide?
4-methoxy-3-methyl-N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)benzenesulfonamide has a molecular weight of 386.47 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)benzenesulfonamide is sourced from PubChem (CID 7527013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).