N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide

C23H20N2O5S — CID 23800625

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C23H20N2O5S/c26-23(24-18-7-10-21-22(15-18)30-14-13-29-21)17-5-8-19(9-6-17)31(27,28)25-12-11-16-3-1-2-4-20(16)25/h1-10,15H,11-14H2,(H,24,26)
InChIKeyBJDLVOYMJYDIKR-UHFFFAOYSA-N
MW436.49 g/mol
LogP3.46
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide (PubChem CID 23800625) has the molecular formula C23H20N2O5S and a molecular weight of 436.49 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide
PubChem CID23800625
Molecular FormulaC23H20N2O5S
Molecular Weight436.49 g/mol
Exact Mass436.11
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C23H20N2O5S/c26-23(24-18-7-10-21-22(15-18)30-14-13-29-21)17-5-8-19(9-6-17)31(27,28)25-12-11-16-3-1-2-4-20(16)25/h1-10,15H,11-14H2,(H,24,26)
InChIKeyBJDLVOYMJYDIKR-UHFFFAOYSA-N
XLogP3.46
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-4-phenylbenzamide
CID 1010301
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]pyridine-4-carboxamide
CID 4930404
4-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-methylphenyl)benzamide
CID 109061663
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 2704625
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-4-nitrobenzamide
CID 1362502
4-fluoro-N-[4-(4-fluorophenyl)sulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl]benzamide
CID 141486309
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide
CID 2361843
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide
CID 720099
1-(4-chlorophenyl)sulfonyl-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-2,3-dihydroindole-5-carboxamide
CID 100765353
4-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid
CID 856543
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-4-(2-methylpropoxy)benzamide
CID 4937060
1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-2,3-dihydroindole
CID 46807431

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide (CID 23800625) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide is O=C(Nc1ccc2c(c1)OCCO2)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide?
The InChIKey is BJDLVOYMJYDIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O5S/c26-23(24-18-7-10-21-22(15-18)30-14-13-29-21)17-5-8-19(9-6-17)31(27,28)25-12-11-16-3-1-2-4-20(16)25/h1-10,15H,11-14H2,(H,24,26).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide has a molecular weight of 436.49 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide is sourced from PubChem (CID 23800625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).