N,N-diethyl-1-[3-(pyrrolidin-1-ylmethyl)benzoyl]-2,3-dihydroindole-5-sulfonamide

C24H31N3O3S — CID 60560523

IUPACN,N-diethyl-1-[3-(pyrrolidin-1-ylmethyl)benzoyl]-2,3-dihydroindole-5-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cccc(CN2CCCC2)c1
InChIInChI=1S/C24H31N3O3S/c1-3-26(4-2)31(29,30)22-10-11-23-20(17-22)12-15-27(23)24(28)21-9-7-8-19(16-21)18-25-13-5-6-14-25/h7-11,16-17H,3-6,12-15,18H2,1-2H3
InChIKeyOXOYLZXEDJCORK-UHFFFAOYSA-N
MW441.60 g/mol
LogP3.52
Rot. Bonds7

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

N,N-diethyl-1-[3-(pyrrolidin-1-ylmethyl)benzoyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 60560523) has the molecular formula C24H31N3O3S and a molecular weight of 441.60 g/mol. Its IUPAC name is N,N-diethyl-1-[3-(pyrrolidin-1-ylmethyl)benzoyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-1-[3-(pyrrolidin-1-ylmethyl)benzoyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID60560523
Molecular FormulaC24H31N3O3S
Molecular Weight441.60 g/mol
Exact Mass441.21
IUPAC NameN,N-diethyl-1-[3-(pyrrolidin-1-ylmethyl)benzoyl]-2,3-dihydroindole-5-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cccc(CN2CCCC2)c1
InChIInChI=1S/C24H31N3O3S/c1-3-26(4-2)31(29,30)22-10-11-23-20(17-22)12-15-27(23)24(28)21-9-7-8-19(16-21)18-25-13-5-6-14-25/h7-11,16-17H,3-6,12-15,18H2,1-2H3
InChIKeyOXOYLZXEDJCORK-UHFFFAOYSA-N
XLogP3.52
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.60
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-1-(3-methylsulfonylbenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435425
N,N-diethyl-1-(pyridine-3-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 51255059
1-(3,4-dichlorobenzoyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 26765696
N,N-diethyl-1-[3-(pyridin-3-ylmethoxy)benzoyl]-2,3-dihydroindole-5-sulfonamide
CID 55772271
1-[4-(diethylamino)benzoyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 112800385
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-[4-(ethylsulfanylmethyl)benzoyl]-2,3-dihydroindole-5-sulfonamide
CID 52696465
N,N-diethyl-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroindole-5-sulfonamide
CID 4045730
1-(1-benzofuran-2-carbonyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 26765269
methyl 2-[3-[6-(diethylsulfamoyl)-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]acetate
CID 55871968
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-(pyrrolidin-1-ylmethyl)benzoyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of N,N-diethyl-1-[3-(pyrrolidin-1-ylmethyl)benzoyl]-2,3-dihydroindole-5-sulfonamide (CID 60560523) is N,N-diethyl-1-[3-(pyrrolidin-1-ylmethyl)benzoyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N,N-diethyl-1-[3-(pyrrolidin-1-ylmethyl)benzoyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N,N-diethyl-1-[3-(pyrrolidin-1-ylmethyl)benzoyl]-2,3-dihydroindole-5-sulfonamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cccc(CN2CCCC2)c1.
What is the InChIKey of N,N-diethyl-1-[3-(pyrrolidin-1-ylmethyl)benzoyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is OXOYLZXEDJCORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3S/c1-3-26(4-2)31(29,30)22-10-11-23-20(17-22)12-15-27(23)24(28)21-9-7-8-19(16-21)18-25-13-5-6-14-25/h7-11,16-17H,3-6,12-15,18H2,1-2H3.
What are the key properties of N,N-diethyl-1-[3-(pyrrolidin-1-ylmethyl)benzoyl]-2,3-dihydroindole-5-sulfonamide?
N,N-diethyl-1-[3-(pyrrolidin-1-ylmethyl)benzoyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 441.60 g/mol, XLogP of 3.52, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[3-(pyrrolidin-1-ylmethyl)benzoyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 60560523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).