N,N-diethyl-1-[2-(1-methylpyrazol-4-yl)-2-oxoacetyl]-2,3-dihydroindole-5-sulfonamide

C18H22N4O4S — CID 47088893

IUPACN,N-diethyl-1-[2-(1-methylpyrazol-4-yl)-2-oxoacetyl]-2,3-dihydroindole-5-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)c1cnn(C)c1
InChIInChI=1S/C18H22N4O4S/c1-4-21(5-2)27(25,26)15-6-7-16-13(10-15)8-9-22(16)18(24)17(23)14-11-19-20(3)12-14/h6-7,10-12H,4-5,8-9H2,1-3H3
InChIKeyGUAAWKIPDGBDES-UHFFFAOYSA-N
MW390.47 g/mol
LogP1.22
Rot. Bonds6

About N,N-diethyl-1-[2-(1-methylpyrazol-4-yl)-2-oxoacetyl]-2,3-dihydroindole-5-sulfonamide

N,N-diethyl-1-[2-(1-methylpyrazol-4-yl)-2-oxoacetyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 47088893) has the molecular formula C18H22N4O4S and a molecular weight of 390.47 g/mol. Its IUPAC name is N,N-diethyl-1-[2-(1-methylpyrazol-4-yl)-2-oxoacetyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-1-[2-(1-methylpyrazol-4-yl)-2-oxoacetyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID47088893
Molecular FormulaC18H22N4O4S
Molecular Weight390.47 g/mol
Exact Mass390.14
IUPAC NameN,N-diethyl-1-[2-(1-methylpyrazol-4-yl)-2-oxoacetyl]-2,3-dihydroindole-5-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)c1cnn(C)c1
InChIInChI=1S/C18H22N4O4S/c1-4-21(5-2)27(25,26)15-6-7-16-13(10-15)8-9-22(16)18(24)17(23)14-11-19-20(3)12-14/h6-7,10-12H,4-5,8-9H2,1-3H3
InChIKeyGUAAWKIPDGBDES-UHFFFAOYSA-N
XLogP1.22
TPSA92.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-1-(pyridine-3-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 51255059
5-(diethylsulfamoyl)-N-propyl-2,3-dihydroindole-1-carboxamide
CID 53059052
1-(3,4-dichlorobenzoyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 26765696
1-[4-(diethylamino)benzoyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 112800385
N,N-diethyl-1-(6-methylpyridine-2-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 32784650
N,N-diethyl-1-(4-propan-2-ylbenzoyl)-2,3-dihydroindole-5-sulfonamide
CID 26764981
N,N-diethyl-1-(4-methoxybenzoyl)-2,3-dihydroindole-5-sulfonamide
CID 46636161
N,N-diethyl-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroindole-5-sulfonamide
CID 4045730
N,N-diethyl-1-[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 55668145
1-(4-amino-3-methoxybutanoyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 120587533
N,N-diethyl-1-(3-methylthiophene-2-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 46636160
1-[2-(4-bromophenyl)acetyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 26765097

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[2-(1-methylpyrazol-4-yl)-2-oxoacetyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of N,N-diethyl-1-[2-(1-methylpyrazol-4-yl)-2-oxoacetyl]-2,3-dihydroindole-5-sulfonamide (CID 47088893) is N,N-diethyl-1-[2-(1-methylpyrazol-4-yl)-2-oxoacetyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N,N-diethyl-1-[2-(1-methylpyrazol-4-yl)-2-oxoacetyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N,N-diethyl-1-[2-(1-methylpyrazol-4-yl)-2-oxoacetyl]-2,3-dihydroindole-5-sulfonamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)c1cnn(C)c1.
What is the InChIKey of N,N-diethyl-1-[2-(1-methylpyrazol-4-yl)-2-oxoacetyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is GUAAWKIPDGBDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4S/c1-4-21(5-2)27(25,26)15-6-7-16-13(10-15)8-9-22(16)18(24)17(23)14-11-19-20(3)12-14/h6-7,10-12H,4-5,8-9H2,1-3H3.
What are the key properties of N,N-diethyl-1-[2-(1-methylpyrazol-4-yl)-2-oxoacetyl]-2,3-dihydroindole-5-sulfonamide?
N,N-diethyl-1-[2-(1-methylpyrazol-4-yl)-2-oxoacetyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 390.47 g/mol, XLogP of 1.22, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[2-(1-methylpyrazol-4-yl)-2-oxoacetyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 47088893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).