10-(4-propan-2-yloxyphenyl)sulfonyl-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene

C19H22N2O4S — CID 110670820

IUPAC10-(4-propan-2-yloxyphenyl)sulfonyl-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
SMILESCC(C)Oc1ccc(S(=O)(=O)N2CCN3CCOc4cccc2c43)cc1
InChIInChI=1S/C19H22N2O4S/c1-14(2)25-15-6-8-16(9-7-15)26(22,23)21-11-10-20-12-13-24-18-5-3-4-17(21)19(18)20/h3-9,14H,10-13H2,1-2H3
InChIKeyHRDZOJIGENNZIN-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.88
Rot. Bonds4

About 10-(4-propan-2-yloxyphenyl)sulfonyl-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene

10-(4-propan-2-yloxyphenyl)sulfonyl-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene (PubChem CID 110670820) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 10-(4-propan-2-yloxyphenyl)sulfonyl-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene.

Molecular Properties

Compound Name10-(4-propan-2-yloxyphenyl)sulfonyl-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
PubChem CID110670820
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name10-(4-propan-2-yloxyphenyl)sulfonyl-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
SMILESCC(C)Oc1ccc(S(=O)(=O)N2CCN3CCOc4cccc2c43)cc1
InChIInChI=1S/C19H22N2O4S/c1-14(2)25-15-6-8-16(9-7-15)26(22,23)21-11-10-20-12-13-24-18-5-3-4-17(21)19(18)20/h3-9,14H,10-13H2,1-2H3
InChIKeyHRDZOJIGENNZIN-UHFFFAOYSA-N
XLogP2.88
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 128850873
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CID 127728475
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CID 59232278
4-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)aniline
CID 61112339
2-methoxy-1-(4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-yl)ethanone
CID 75440676
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Frequently Asked Questions

What is the IUPAC name of 10-(4-propan-2-yloxyphenyl)sulfonyl-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
The IUPAC name of 10-(4-propan-2-yloxyphenyl)sulfonyl-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene (CID 110670820) is 10-(4-propan-2-yloxyphenyl)sulfonyl-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene.
What is the SMILES notation for 10-(4-propan-2-yloxyphenyl)sulfonyl-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
The canonical SMILES for 10-(4-propan-2-yloxyphenyl)sulfonyl-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene is CC(C)Oc1ccc(S(=O)(=O)N2CCN3CCOc4cccc2c43)cc1.
What is the InChIKey of 10-(4-propan-2-yloxyphenyl)sulfonyl-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
The InChIKey is HRDZOJIGENNZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-14(2)25-15-6-8-16(9-7-15)26(22,23)21-11-10-20-12-13-24-18-5-3-4-17(21)19(18)20/h3-9,14H,10-13H2,1-2H3.
What are the key properties of 10-(4-propan-2-yloxyphenyl)sulfonyl-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
10-(4-propan-2-yloxyphenyl)sulfonyl-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene has a molecular weight of 374.46 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-propan-2-yloxyphenyl)sulfonyl-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene is sourced from PubChem (CID 110670820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).