1-(1-benzofuran-2-carbonyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide

C21H22N2O4S — CID 26765269

IUPAC1-(1-benzofuran-2-carbonyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cc2ccccc2o1
InChIInChI=1S/C21H22N2O4S/c1-3-22(4-2)28(25,26)17-9-10-18-15(13-17)11-12-23(18)21(24)20-14-16-7-5-6-8-19(16)27-20/h5-10,13-14H,3-4,11-12H2,1-2H3
InChIKeyAYDKQJHLUIXTED-UHFFFAOYSA-N
MW398.48 g/mol
LogP3.67
Rot. Bonds5

About 1-(1-benzofuran-2-carbonyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide

1-(1-benzofuran-2-carbonyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 26765269) has the molecular formula C21H22N2O4S and a molecular weight of 398.48 g/mol. Its IUPAC name is 1-(1-benzofuran-2-carbonyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-(1-benzofuran-2-carbonyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
PubChem CID26765269
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC Name1-(1-benzofuran-2-carbonyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cc2ccccc2o1
InChIInChI=1S/C21H22N2O4S/c1-3-22(4-2)28(25,26)17-9-10-18-15(13-17)11-12-23(18)21(24)20-14-16-7-5-6-8-19(16)27-20/h5-10,13-14H,3-4,11-12H2,1-2H3
InChIKeyAYDKQJHLUIXTED-UHFFFAOYSA-N
XLogP3.67
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzofuran-2-yl-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 26466097
N,N-diethyl-1-(6-methylpyridine-2-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 32784650
N,N-diethyl-1-(4-methoxybenzoyl)-2,3-dihydroindole-5-sulfonamide
CID 46636161
N,N-diethyl-1-[3-(pyrrolidin-1-ylmethyl)benzoyl]-2,3-dihydroindole-5-sulfonamide
CID 60560523
N,N-diethyl-1-(2-propan-2-ylsulfonylbenzoyl)-2,3-dihydroindole-5-sulfonamide
CID 55667997
1-[4-(diethylamino)benzoyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 112800385
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-1-benzofuran-2-carboxamide
CID 26880925
N,N-diethyl-1-(pyridine-3-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 51255059
N,N-diethyl-1-(3-methylthiophene-2-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 46636160
1-(3,4-dichlorobenzoyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 26765696
N,N-diethyl-1-(4-propan-2-ylbenzoyl)-2,3-dihydroindole-5-sulfonamide
CID 26764981
(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(1-benzofuran-2-yl)methanone
CID 43823655

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-carbonyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-(1-benzofuran-2-carbonyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide (CID 26765269) is 1-(1-benzofuran-2-carbonyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-(1-benzofuran-2-carbonyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-(1-benzofuran-2-carbonyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-carbonyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is AYDKQJHLUIXTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S/c1-3-22(4-2)28(25,26)17-9-10-18-15(13-17)11-12-23(18)21(24)20-14-16-7-5-6-8-19(16)27-20/h5-10,13-14H,3-4,11-12H2,1-2H3.
What are the key properties of 1-(1-benzofuran-2-carbonyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide?
1-(1-benzofuran-2-carbonyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 398.48 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-carbonyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 26765269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).