N,N-diethyl-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroindole-5-sulfonamide

C22H28N2O6S — CID 4045730

IUPACN,N-diethyl-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroindole-5-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C22H28N2O6S/c1-6-23(7-2)31(26,27)17-8-9-18-15(12-17)10-11-24(18)22(25)16-13-19(28-3)21(30-5)20(14-16)29-4/h8-9,12-14H,6-7,10-11H2,1-5H3
InChIKeyCLUUHMATIQLGJX-UHFFFAOYSA-N
MW448.54 g/mol
LogP2.95
Rot. Bonds8

About N,N-diethyl-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroindole-5-sulfonamide

N,N-diethyl-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroindole-5-sulfonamide (PubChem CID 4045730) has the molecular formula C22H28N2O6S and a molecular weight of 448.54 g/mol. Its IUPAC name is N,N-diethyl-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroindole-5-sulfonamide
PubChem CID4045730
Molecular FormulaC22H28N2O6S
Molecular Weight448.54 g/mol
Exact Mass448.17
IUPAC NameN,N-diethyl-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroindole-5-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C22H28N2O6S/c1-6-23(7-2)31(26,27)17-8-9-18-15(12-17)10-11-24(18)22(25)16-13-19(28-3)21(30-5)20(14-16)29-4/h8-9,12-14H,6-7,10-11H2,1-5H3
InChIKeyCLUUHMATIQLGJX-UHFFFAOYSA-N
XLogP2.95
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diethyl-1-(4-methoxybenzoyl)-2,3-dihydroindole-5-sulfonamide
CID 46636161
1-[4-(diethylamino)benzoyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 112800385
1-(4,5-dimethoxy-2-nitrobenzoyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 46636156
N-cyclopentyl-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroindole-5-sulfonamide
CID 19164410
N,N-diethyl-1-(4-propan-2-ylbenzoyl)-2,3-dihydroindole-5-sulfonamide
CID 26764981
1-(3,4-dichlorobenzoyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 26765696
N,N-diethyl-1-(pyridine-3-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 51255059
N,N-diethyl-1-[4-(ethylsulfanylmethyl)benzoyl]-2,3-dihydroindole-5-sulfonamide
CID 52696465
N,N-diethyl-1-[4-[ethyl(propyl)amino]benzoyl]-2,3-dihydroindole-5-sulfonamide
CID 47084013
1-(5-chloro-2-methoxybenzoyl)-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435178
N,N-diethyl-1-(3-methylthiophene-2-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 46636160
N,N-diethyl-1-(3-methylsulfonylbenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435425

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of N,N-diethyl-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroindole-5-sulfonamide (CID 4045730) is N,N-diethyl-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N,N-diethyl-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N,N-diethyl-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroindole-5-sulfonamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of N,N-diethyl-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroindole-5-sulfonamide?
The InChIKey is CLUUHMATIQLGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O6S/c1-6-23(7-2)31(26,27)17-8-9-18-15(12-17)10-11-24(18)22(25)16-13-19(28-3)21(30-5)20(14-16)29-4/h8-9,12-14H,6-7,10-11H2,1-5H3.
What are the key properties of N,N-diethyl-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroindole-5-sulfonamide?
N,N-diethyl-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroindole-5-sulfonamide has a molecular weight of 448.54 g/mol, XLogP of 2.95, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 4045730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).