4-(2,3-dihydroindol-1-ylsulfonyl)-1-N,1-N-dimethylbenzene-1,2-diamine

C16H19N3O2S — CID 28796047

IUPAC4-(2,3-dihydroindol-1-ylsulfonyl)-1-N,1-N-dimethylbenzene-1,2-diamine
SMILESCN(C)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1N
InChIInChI=1S/C16H19N3O2S/c1-18(2)16-8-7-13(11-14(16)17)22(20,21)19-10-9-12-5-3-4-6-15(12)19/h3-8,11H,9-10,17H2,1-2H3
InChIKeyIXMZGURKRKGPLD-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.09
Rot. Bonds3

About 4-(2,3-dihydroindol-1-ylsulfonyl)-1-N,1-N-dimethylbenzene-1,2-diamine

4-(2,3-dihydroindol-1-ylsulfonyl)-1-N,1-N-dimethylbenzene-1,2-diamine (PubChem CID 28796047) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-ylsulfonyl)-1-N,1-N-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-ylsulfonyl)-1-N,1-N-dimethylbenzene-1,2-diamine
PubChem CID28796047
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name4-(2,3-dihydroindol-1-ylsulfonyl)-1-N,1-N-dimethylbenzene-1,2-diamine
SMILESCN(C)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1N
InChIInChI=1S/C16H19N3O2S/c1-18(2)16-8-7-13(11-14(16)17)22(20,21)19-10-9-12-5-3-4-6-15(12)19/h3-8,11H,9-10,17H2,1-2H3
InChIKeyIXMZGURKRKGPLD-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
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

1-(3-methylphenyl)sulfonyl-2,3-dihydroindole
CID 5010201
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2,3-dihydroindole
CID 4806110
1-(3-methylsulfonylphenyl)sulfonyl-2,3-dihydroindole
CID 6462869
1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-2,3-dihydroindole
CID 46807431
5-(2,3-dihydroindol-1-ylsulfonyl)-2-methylbenzamide
CID 2174045
1-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]ethanamine
CID 43106392
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluoroaniline
CID 82845024
1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydroindole
CID 2226308
4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzenesulfonamide
CID 134034304
4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylaniline
CID 43332089
1-(3-chloro-4-methoxyphenyl)sulfonyl-2,3-dihydroindole
CID 974280
1-[4-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]phenyl]sulfonyl-2,3-dihydroindole
CID 91670097

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindol-1-ylsulfonyl)-1-N,1-N-dimethylbenzene-1,2-diamine?
The IUPAC name of 4-(2,3-dihydroindol-1-ylsulfonyl)-1-N,1-N-dimethylbenzene-1,2-diamine (CID 28796047) is 4-(2,3-dihydroindol-1-ylsulfonyl)-1-N,1-N-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 4-(2,3-dihydroindol-1-ylsulfonyl)-1-N,1-N-dimethylbenzene-1,2-diamine?
The canonical SMILES for 4-(2,3-dihydroindol-1-ylsulfonyl)-1-N,1-N-dimethylbenzene-1,2-diamine is CN(C)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1N.
What is the InChIKey of 4-(2,3-dihydroindol-1-ylsulfonyl)-1-N,1-N-dimethylbenzene-1,2-diamine?
The InChIKey is IXMZGURKRKGPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-18(2)16-8-7-13(11-14(16)17)22(20,21)19-10-9-12-5-3-4-6-15(12)19/h3-8,11H,9-10,17H2,1-2H3.
What are the key properties of 4-(2,3-dihydroindol-1-ylsulfonyl)-1-N,1-N-dimethylbenzene-1,2-diamine?
4-(2,3-dihydroindol-1-ylsulfonyl)-1-N,1-N-dimethylbenzene-1,2-diamine has a molecular weight of 317.41 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindol-1-ylsulfonyl)-1-N,1-N-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 28796047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).