N,N-diethyl-1-[3-(pyridin-3-ylmethoxy)benzoyl]-2,3-dihydroindole-5-sulfonamide

C25H27N3O4S — CID 55772271

IUPACN,N-diethyl-1-[3-(pyridin-3-ylmethoxy)benzoyl]-2,3-dihydroindole-5-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cccc(OCc2cccnc2)c1
InChIInChI=1S/C25H27N3O4S/c1-3-27(4-2)33(30,31)23-10-11-24-20(16-23)12-14-28(24)25(29)21-8-5-9-22(15-21)32-18-19-7-6-13-26-17-19/h5-11,13,15-17H,3-4,12,14,18H2,1-2H3
InChIKeyAVSUCZGQRFVZCB-UHFFFAOYSA-N
MW465.58 g/mol
LogP3.89
Rot. Bonds8

About N,N-diethyl-1-[3-(pyridin-3-ylmethoxy)benzoyl]-2,3-dihydroindole-5-sulfonamide

N,N-diethyl-1-[3-(pyridin-3-ylmethoxy)benzoyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 55772271) has the molecular formula C25H27N3O4S and a molecular weight of 465.58 g/mol. Its IUPAC name is N,N-diethyl-1-[3-(pyridin-3-ylmethoxy)benzoyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-1-[3-(pyridin-3-ylmethoxy)benzoyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID55772271
Molecular FormulaC25H27N3O4S
Molecular Weight465.58 g/mol
Exact Mass465.17
IUPAC NameN,N-diethyl-1-[3-(pyridin-3-ylmethoxy)benzoyl]-2,3-dihydroindole-5-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cccc(OCc2cccnc2)c1
InChIInChI=1S/C25H27N3O4S/c1-3-27(4-2)33(30,31)23-10-11-24-20(16-23)12-14-28(24)25(29)21-8-5-9-22(15-21)32-18-19-7-6-13-26-17-19/h5-11,13,15-17H,3-4,12,14,18H2,1-2H3
InChIKeyAVSUCZGQRFVZCB-UHFFFAOYSA-N
XLogP3.89
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-1-(pyridine-3-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 51255059
N,N-diethyl-1-[3-(pyrrolidin-1-ylmethyl)benzoyl]-2,3-dihydroindole-5-sulfonamide
CID 60560523
methyl 2-[3-[6-(diethylsulfamoyl)-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]acetate
CID 55871968
1-(3,4-dichlorobenzoyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 26765696
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
N,N-diethyl-1-(3-methylsulfonylbenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435425
2,3-dihydroindol-1-yl-(3-phenylmethoxyphenyl)methanone
CID 8778658
1-[4-(diethylamino)benzoyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 112800385
(4-methylsulfonylpiperazin-1-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanone
CID 55822313
N,N-diethyl-1-(6-methylpyridine-2-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 32784650

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[3-(pyridin-3-ylmethoxy)benzoyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of N,N-diethyl-1-[3-(pyridin-3-ylmethoxy)benzoyl]-2,3-dihydroindole-5-sulfonamide (CID 55772271) is N,N-diethyl-1-[3-(pyridin-3-ylmethoxy)benzoyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N,N-diethyl-1-[3-(pyridin-3-ylmethoxy)benzoyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N,N-diethyl-1-[3-(pyridin-3-ylmethoxy)benzoyl]-2,3-dihydroindole-5-sulfonamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cccc(OCc2cccnc2)c1.
What is the InChIKey of N,N-diethyl-1-[3-(pyridin-3-ylmethoxy)benzoyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is AVSUCZGQRFVZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4S/c1-3-27(4-2)33(30,31)23-10-11-24-20(16-23)12-14-28(24)25(29)21-8-5-9-22(15-21)32-18-19-7-6-13-26-17-19/h5-11,13,15-17H,3-4,12,14,18H2,1-2H3.
What are the key properties of N,N-diethyl-1-[3-(pyridin-3-ylmethoxy)benzoyl]-2,3-dihydroindole-5-sulfonamide?
N,N-diethyl-1-[3-(pyridin-3-ylmethoxy)benzoyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 465.58 g/mol, XLogP of 3.89, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[3-(pyridin-3-ylmethoxy)benzoyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 55772271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).