5-amino-2-(2,3-dihydroindol-1-yl)-N,N-dimethylbenzenesulfonamide

C16H19N3O2S — CID 28795713

IUPAC5-amino-2-(2,3-dihydroindol-1-yl)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cc(N)ccc1N1CCc2ccccc21
InChIInChI=1S/C16H19N3O2S/c1-18(2)22(20,21)16-11-13(17)7-8-15(16)19-10-9-12-5-3-4-6-14(12)19/h3-8,11H,9-10,17H2,1-2H3
InChIKeyARYDUCBORXCOQK-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.21
Rot. Bonds3

About 5-amino-2-(2,3-dihydroindol-1-yl)-N,N-dimethylbenzenesulfonamide

5-amino-2-(2,3-dihydroindol-1-yl)-N,N-dimethylbenzenesulfonamide (PubChem CID 28795713) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 5-amino-2-(2,3-dihydroindol-1-yl)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-(2,3-dihydroindol-1-yl)-N,N-dimethylbenzenesulfonamide
PubChem CID28795713
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name5-amino-2-(2,3-dihydroindol-1-yl)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cc(N)ccc1N1CCc2ccccc21
InChIInChI=1S/C16H19N3O2S/c1-18(2)22(20,21)16-11-13(17)7-8-15(16)19-10-9-12-5-3-4-6-14(12)19/h3-8,11H,9-10,17H2,1-2H3
InChIKeyARYDUCBORXCOQK-UHFFFAOYSA-N
XLogP2.21
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N,N-dimethyl-2-piperidin-1-ylbenzenesulfonamide
CID 28795698
4-(2,3-dihydroindol-1-yl)-3-nitroaniline
CID 82299179
4-(2,3-dihydroindol-1-yl)-1-N,1-N-dimethylbenzene-1,3-diamine
CID 28809875
5-amino-N-methyl-2-(4-methylpiperazin-1-yl)-N-phenylbenzenesulfonamide
CID 121356164
1-(3,5-dimethylphenyl)-2,3-dihydroindole
CID 91512599
7-amino-N,N-dimethyl-3,4-dihydro-2H-quinoline-1-sulfonamide
CID 28707191
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-methylaniline
CID 28511921
4-(2,3-dihydroindol-1-yl)-N,N-diethyl-3-nitrobenzenesulfonamide
CID 4877058
4-amino-3-(2,3-dihydroindol-1-yl)-N,N-dimethylbenzamide
CID 63360632
1-(2-chlorophenyl)sulfonyl-2,3-dihydroindol-6-amine
CID 28970986
2-(2,3-dihydroindol-1-yl)-4,6-difluoroaniline
CID 113325091
4-amino-2-(dimethylamino)-N,N-dimethylbenzenesulfonamide
CID 69123591

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2,3-dihydroindol-1-yl)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 5-amino-2-(2,3-dihydroindol-1-yl)-N,N-dimethylbenzenesulfonamide (CID 28795713) is 5-amino-2-(2,3-dihydroindol-1-yl)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2-(2,3-dihydroindol-1-yl)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 5-amino-2-(2,3-dihydroindol-1-yl)-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1cc(N)ccc1N1CCc2ccccc21.
What is the InChIKey of 5-amino-2-(2,3-dihydroindol-1-yl)-N,N-dimethylbenzenesulfonamide?
The InChIKey is ARYDUCBORXCOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-18(2)22(20,21)16-11-13(17)7-8-15(16)19-10-9-12-5-3-4-6-14(12)19/h3-8,11H,9-10,17H2,1-2H3.
What are the key properties of 5-amino-2-(2,3-dihydroindol-1-yl)-N,N-dimethylbenzenesulfonamide?
5-amino-2-(2,3-dihydroindol-1-yl)-N,N-dimethylbenzenesulfonamide has a molecular weight of 317.41 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2,3-dihydroindol-1-yl)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 28795713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).