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

C21H21N3O2S — CID 113016633

IUPACN-[6-(2,3-dihydroindol-1-yl)-3-pyridinyl]-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(N3CCc4ccccc43)nc2)cc1C
InChIInChI=1S/C21H21N3O2S/c1-15-7-9-19(13-16(15)2)27(25,26)23-18-8-10-21(22-14-18)24-12-11-17-5-3-4-6-20(17)24/h3-10,13-14,23H,11-12H2,1-2H3
InChIKeyZBHQUTNXELSWND-UHFFFAOYSA-N
MW379.49 g/mol
LogP4.19
Rot. Bonds4

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

N-[6-(2,3-dihydroindol-1-yl)-3-pyridinyl]-3,4-dimethylbenzenesulfonamide (PubChem CID 113016633) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is N-[6-(2,3-dihydroindol-1-yl)-3-pyridinyl]-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(2,3-dihydroindol-1-yl)-3-pyridinyl]-3,4-dimethylbenzenesulfonamide
PubChem CID113016633
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC NameN-[6-(2,3-dihydroindol-1-yl)-3-pyridinyl]-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(N3CCc4ccccc43)nc2)cc1C
InChIInChI=1S/C21H21N3O2S/c1-15-7-9-19(13-16(15)2)27(25,26)23-18-8-10-21(22-14-18)24-12-11-17-5-3-4-6-20(17)24/h3-10,13-14,23H,11-12H2,1-2H3
InChIKeyZBHQUTNXELSWND-UHFFFAOYSA-N
XLogP4.19
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Guanidino-7-phenylsulphamoylisoquinoline
CID 16658631
1-(6-octylpyridin-2-yl)-N-phenyl-2,3-dihydro-1H-indole-5-sulfonamide
CID 44298851
4-methyl-N-{2-[(pyridin-2-ylamino)methyl]phenyl}benzenesulfonamide
CID 1147309
3-(imidazo[1,2-a]pyridin-2-yl)-N,N-dimethylbenzenesulfonamide
CID 664793
4-methyl-N-phenyl-N-2-pyridinylbenzenesulfonamide
CID 882825
7-Methyl-2-[3-(pyrrolidin-1-ylsulfonyl)phenyl]imidazo[1,2-a]pyridine
CID 941841
2-{3-[4-(2-Pyridyl)-1-piperazinyl]propyl}naphtho[1,8-cd]isothiazole 1,1-dioxide
CID 14580031
N-(5-(Imidazo[1,2-a]pyridin-6-yl)pyridin-3-yl)benzenesulfonamide
CID 52936737
6-(4-Tert-butylphenyl)sulfonyl-7,8-dimethyl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepine
CID 59618646
1-[4-Methyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]sulfonylindole
CID 67003550
1-(3-Methylphenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline
CID 90469187
4-Piperazin-1-yl-1-(4-propan-2-ylphenyl)sulfonylpyrrolo[3,2-c]quinoline
CID 90469188

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,3-dihydroindol-1-yl)-3-pyridinyl]-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[6-(2,3-dihydroindol-1-yl)-3-pyridinyl]-3,4-dimethylbenzenesulfonamide (CID 113016633) is N-[6-(2,3-dihydroindol-1-yl)-3-pyridinyl]-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[6-(2,3-dihydroindol-1-yl)-3-pyridinyl]-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[6-(2,3-dihydroindol-1-yl)-3-pyridinyl]-3,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(N3CCc4ccccc43)nc2)cc1C.
What is the InChIKey of N-[6-(2,3-dihydroindol-1-yl)-3-pyridinyl]-3,4-dimethylbenzenesulfonamide?
The InChIKey is ZBHQUTNXELSWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c1-15-7-9-19(13-16(15)2)27(25,26)23-18-8-10-21(22-14-18)24-12-11-17-5-3-4-6-20(17)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]-3,4-dimethylbenzenesulfonamide?
N-[6-(2,3-dihydroindol-1-yl)-3-pyridinyl]-3,4-dimethylbenzenesulfonamide has a molecular weight of 379.49 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,3-dihydroindol-1-yl)-3-pyridinyl]-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 113016633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).