N-[6-(2,3-dihydroindol-1-yl)-3-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide

C21H21N3O3S — CID 113016641

IUPACN-[6-(2,3-dihydroindol-1-yl)-3-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(N3CCc4ccccc43)nc2)cc1C
InChIInChI=1S/C21H21N3O3S/c1-15-13-18(8-9-20(15)27-2)28(25,26)23-17-7-10-21(22-14-17)24-12-11-16-5-3-4-6-19(16)24/h3-10,13-14,23H,11-12H2,1-2H3
InChIKeyOTOPDJMQKMIRIO-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.89
Rot. Bonds5

About N-[6-(2,3-dihydroindol-1-yl)-3-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide

N-[6-(2,3-dihydroindol-1-yl)-3-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide (PubChem CID 113016641) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-[6-(2,3-dihydroindol-1-yl)-3-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(2,3-dihydroindol-1-yl)-3-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide
PubChem CID113016641
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC NameN-[6-(2,3-dihydroindol-1-yl)-3-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(N3CCc4ccccc43)nc2)cc1C
InChIInChI=1S/C21H21N3O3S/c1-15-13-18(8-9-20(15)27-2)28(25,26)23-17-7-10-21(22-14-17)24-12-11-16-5-3-4-6-19(16)24/h3-10,13-14,23H,11-12H2,1-2H3
InChIKeyOTOPDJMQKMIRIO-UHFFFAOYSA-N
XLogP3.89
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(2,3-dihydroindol-1-yl)-3-pyridinyl]-3,4-dimethylbenzenesulfonamide
CID 113016633
N-[6-(2,3-dihydroindol-1-yl)-3-pyridinyl]benzenesulfonamide
CID 113016628
1-[5-(dimethylsulfamoylamino)-2-pyridinyl]-2,3-dihydroindole
CID 113016627
4-methoxy-3-methyl-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)benzenesulfonamide
CID 112506311
N-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]ethanesulfonamide
CID 113016723
1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydroindole
CID 2226308
4-chloro-N-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113031845
4-methoxy-3-methyl-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide
CID 122302290
3,4-dimethoxy-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide
CID 36618671
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 7498773
4-methoxy-3-methyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 126126840
N-[6-(azepan-1-yl)-3-pyridinyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 113015961

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,3-dihydroindol-1-yl)-3-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide?
The IUPAC name of N-[6-(2,3-dihydroindol-1-yl)-3-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide (CID 113016641) is N-[6-(2,3-dihydroindol-1-yl)-3-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[6-(2,3-dihydroindol-1-yl)-3-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide?
The canonical SMILES for N-[6-(2,3-dihydroindol-1-yl)-3-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(N3CCc4ccccc43)nc2)cc1C.
What is the InChIKey of N-[6-(2,3-dihydroindol-1-yl)-3-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide?
The InChIKey is OTOPDJMQKMIRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-15-13-18(8-9-20(15)27-2)28(25,26)23-17-7-10-21(22-14-17)24-12-11-16-5-3-4-6-19(16)24/h3-10,13-14,23H,11-12H2,1-2H3.
What are the key properties of N-[6-(2,3-dihydroindol-1-yl)-3-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide?
N-[6-(2,3-dihydroindol-1-yl)-3-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide has a molecular weight of 395.48 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,3-dihydroindol-1-yl)-3-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide is sourced from PubChem (CID 113016641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).