N-(1-ethyl-2-oxo-3H-indol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

C18H18N2O5S — CID 41342437

IUPACN-(1-ethyl-2-oxo-3H-indol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCCN1C(=O)Cc2cc(NS(=O)(=O)c3ccc4c(c3)OCCO4)ccc21
InChIInChI=1S/C18H18N2O5S/c1-2-20-15-5-3-13(9-12(15)10-18(20)21)19-26(22,23)14-4-6-16-17(11-14)25-8-7-24-16/h3-6,9,11,19H,2,7-8,10H2,1H3
InChIKeyUTFAATWNVNQPSE-UHFFFAOYSA-N
MW374.42 g/mol
LogP2.17
Rot. Bonds4

About N-(1-ethyl-2-oxo-3H-indol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

N-(1-ethyl-2-oxo-3H-indol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 41342437) has the molecular formula C18H18N2O5S and a molecular weight of 374.42 g/mol. Its IUPAC name is N-(1-ethyl-2-oxo-3H-indol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-(1-ethyl-2-oxo-3H-indol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID41342437
Molecular FormulaC18H18N2O5S
Molecular Weight374.42 g/mol
Exact Mass374.09
IUPAC NameN-(1-ethyl-2-oxo-3H-indol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCCN1C(=O)Cc2cc(NS(=O)(=O)c3ccc4c(c3)OCCO4)ccc21
InChIInChI=1S/C18H18N2O5S/c1-2-20-15-5-3-13(9-12(15)10-18(20)21)19-26(22,23)14-4-6-16-17(11-14)25-8-7-24-16/h3-6,9,11,19H,2,7-8,10H2,1H3
InChIKeyUTFAATWNVNQPSE-UHFFFAOYSA-N
XLogP2.17
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-2-oxo-3H-indol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-(1-ethyl-2-oxo-3H-indol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 41342437) is N-(1-ethyl-2-oxo-3H-indol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-(1-ethyl-2-oxo-3H-indol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-(1-ethyl-2-oxo-3H-indol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is CCN1C(=O)Cc2cc(NS(=O)(=O)c3ccc4c(c3)OCCO4)ccc21.
What is the InChIKey of N-(1-ethyl-2-oxo-3H-indol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is UTFAATWNVNQPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5S/c1-2-20-15-5-3-13(9-12(15)10-18(20)21)19-26(22,23)14-4-6-16-17(11-14)25-8-7-24-16/h3-6,9,11,19H,2,7-8,10H2,1H3.
What are the key properties of N-(1-ethyl-2-oxo-3H-indol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-(1-ethyl-2-oxo-3H-indol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 374.42 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-2-oxo-3H-indol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 41342437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).