1-(cyclobutanecarbonyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,3-dihydroindole-5-sulfonamide

C22H24N2O5S — CID 3237378

IUPAC1-(cyclobutanecarbonyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,3-dihydroindole-5-sulfonamide
SMILESO=C(C1CCC1)N1CCc2cc(S(=O)(=O)NCC3COc4ccccc4O3)ccc21
InChIInChI=1S/C22H24N2O5S/c25-22(15-4-3-5-15)24-11-10-16-12-18(8-9-19(16)24)30(26,27)23-13-17-14-28-20-6-1-2-7-21(20)29-17/h1-2,6-9,12,15,17,23H,3-5,10-11,13-14H2
InChIKeyFJSVDADZBYJQLJ-UHFFFAOYSA-N
MW428.51 g/mol
LogP2.49
Rot. Bonds5

About 1-(cyclobutanecarbonyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,3-dihydroindole-5-sulfonamide

1-(cyclobutanecarbonyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,3-dihydroindole-5-sulfonamide (PubChem CID 3237378) has the molecular formula C22H24N2O5S and a molecular weight of 428.51 g/mol. Its IUPAC name is 1-(cyclobutanecarbonyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-(cyclobutanecarbonyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,3-dihydroindole-5-sulfonamide
PubChem CID3237378
Molecular FormulaC22H24N2O5S
Molecular Weight428.51 g/mol
Exact Mass428.14
IUPAC Name1-(cyclobutanecarbonyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,3-dihydroindole-5-sulfonamide
SMILESO=C(C1CCC1)N1CCc2cc(S(=O)(=O)NCC3COc4ccccc4O3)ccc21
InChIInChI=1S/C22H24N2O5S/c25-22(15-4-3-5-15)24-11-10-16-12-18(8-9-19(16)24)30(26,27)23-13-17-14-28-20-6-1-2-7-21(20)29-17/h1-2,6-9,12,15,17,23H,3-5,10-11,13-14H2
InChIKeyFJSVDADZBYJQLJ-UHFFFAOYSA-N
XLogP2.49
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-1-(cyclopropylcarbonyl)-N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)indoline-7-sulfonamide
CID 3242300
N-2,3-dihydro-1,4-benzodioxin-6-yl-1-propionylindoline-5-sulfonamide
CID 3240508
1-Cyclobutanecarbonyl-N-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 16031805
[1-(2,3-Dihydro-benzo[1,4]dioxine-6-sulfonyl)-piperidin-4-yl]-(2,3-dihydro-indol-1-yl)-methanone
CID 645295
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(methylsulfonyl)-5-indolinesulfonamide
CID 1250293
1-acetyl-N-(4-ethoxyphenyl)indoline-5-sulfonamide
CID 2992563
N~3~-[(1-acetyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-N~1~-2,3-dihydro-1,4-benzodioxin-6-yl-beta-alaninamide
CID 3236751
N~2~-[(1-acetyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-N~1~-2,3-dihydro-1,4-benzodioxin-6-ylleucinamide
CID 3241785
1-(cyclobutanecarbonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydroindole-5-sulfonamide
CID 3244708
N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-1-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]piperidine-4-carboxamide
CID 5307915
1-Cyclobutanecarbonyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-2,3-dihydro-1H-indole-5-sulfonamide
CID 16021529
1-Cyclobutanecarbonyl-N-[(2-methoxyphenyl)methyl]-2-methyl-2,3-dihydro-1H-indole-5-sulfonamide
CID 16021583

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutanecarbonyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-(cyclobutanecarbonyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,3-dihydroindole-5-sulfonamide (CID 3237378) is 1-(cyclobutanecarbonyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-(cyclobutanecarbonyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-(cyclobutanecarbonyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,3-dihydroindole-5-sulfonamide is O=C(C1CCC1)N1CCc2cc(S(=O)(=O)NCC3COc4ccccc4O3)ccc21.
What is the InChIKey of 1-(cyclobutanecarbonyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,3-dihydroindole-5-sulfonamide?
The InChIKey is FJSVDADZBYJQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5S/c25-22(15-4-3-5-15)24-11-10-16-12-18(8-9-19(16)24)30(26,27)23-13-17-14-28-20-6-1-2-7-21(20)29-17/h1-2,6-9,12,15,17,23H,3-5,10-11,13-14H2.
What are the key properties of 1-(cyclobutanecarbonyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,3-dihydroindole-5-sulfonamide?
1-(cyclobutanecarbonyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,3-dihydroindole-5-sulfonamide has a molecular weight of 428.51 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutanecarbonyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 3237378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).