1-methylsulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-2,3-dihydroindole-5-sulfonamide

C21H22N2O5S2 — CID 1251624

IUPAC1-methylsulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-2,3-dihydroindole-5-sulfonamide
SMILESCS(=O)(=O)N1CCc2cc(S(=O)(=O)Nc3ccc4oc5c(c4c3)CCCC5)ccc21
InChIInChI=1S/C21H22N2O5S2/c1-29(24,25)23-11-10-14-12-16(7-8-19(14)23)30(26,27)22-15-6-9-21-18(13-15)17-4-2-3-5-20(17)28-21/h6-9,12-13,22H,2-5,10-11H2,1H3
InChIKeyBTKNCOCAXKQCEZ-UHFFFAOYSA-N
MW446.55 g/mol
LogP3.43
Rot. Bonds4

About 1-methylsulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-2,3-dihydroindole-5-sulfonamide

1-methylsulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-2,3-dihydroindole-5-sulfonamide (PubChem CID 1251624) has the molecular formula C21H22N2O5S2 and a molecular weight of 446.55 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-2,3-dihydroindole-5-sulfonamide
PubChem CID1251624
Molecular FormulaC21H22N2O5S2
Molecular Weight446.55 g/mol
Exact Mass446.10
IUPAC Name1-methylsulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-2,3-dihydroindole-5-sulfonamide
SMILESCS(=O)(=O)N1CCc2cc(S(=O)(=O)Nc3ccc4oc5c(c4c3)CCCC5)ccc21
InChIInChI=1S/C21H22N2O5S2/c1-29(24,25)23-11-10-14-12-16(7-8-19(14)23)30(26,27)22-15-6-9-21-18(13-15)17-4-2-3-5-20(17)28-21/h6-9,12-13,22H,2-5,10-11H2,1H3
InChIKeyBTKNCOCAXKQCEZ-UHFFFAOYSA-N
XLogP3.43
TPSA96.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-methylsulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-2,3-dihydroindole-5-sulfonamide (CID 1251624) is 1-methylsulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-methylsulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-methylsulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-2,3-dihydroindole-5-sulfonamide is CS(=O)(=O)N1CCc2cc(S(=O)(=O)Nc3ccc4oc5c(c4c3)CCCC5)ccc21.
What is the InChIKey of 1-methylsulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-2,3-dihydroindole-5-sulfonamide?
The InChIKey is BTKNCOCAXKQCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5S2/c1-29(24,25)23-11-10-14-12-16(7-8-19(14)23)30(26,27)22-15-6-9-21-18(13-15)17-4-2-3-5-20(17)28-21/h6-9,12-13,22H,2-5,10-11H2,1H3.
What are the key properties of 1-methylsulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-2,3-dihydroindole-5-sulfonamide?
1-methylsulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-2,3-dihydroindole-5-sulfonamide has a molecular weight of 446.55 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 1251624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).