4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylaniline

C15H16N2O2S — CID 43332089

IUPAC4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylaniline
SMILESCNc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C15H16N2O2S/c1-16-13-6-8-14(9-7-13)20(18,19)17-11-10-12-4-2-3-5-15(12)17/h2-9,16H,10-11H2,1H3
InChIKeyINJGRTRGBZNUPI-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.48
Rot. Bonds3

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

4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylaniline (PubChem CID 43332089) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylaniline.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylaniline
PubChem CID43332089
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylaniline
SMILESCNc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C15H16N2O2S/c1-16-13-6-8-14(9-7-13)20(18,19)17-11-10-12-4-2-3-5-15(12)17/h2-9,16H,10-11H2,1H3
InChIKeyINJGRTRGBZNUPI-UHFFFAOYSA-N
XLogP2.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzenesulfonamide
CID 134034304
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide
CID 720099
1-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-3-phenylurea
CID 1150802
1-[4-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]phenyl]sulfonyl-2,3-dihydroindole
CID 91670097
4-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid
CID 856543
1-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]ethanamine
CID 43106392
1-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-3-(2-methylphenyl)thiourea
CID 25237349
1-(4-pyridin-4-ylphenyl)sulfonyl-2,3-dihydroindole
CID 110454424
1,3-bis[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-1,3-diethylurea
CID 17139329
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-4-phenylbenzamide
CID 1010301
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]pyridine-4-carboxamide
CID 4930404
1-(3-methylphenyl)sulfonyl-2,3-dihydroindole
CID 5010201

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylaniline?
The IUPAC name of 4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylaniline (CID 43332089) is 4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylaniline.
What is the SMILES notation for 4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylaniline?
The canonical SMILES for 4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylaniline is CNc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of 4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylaniline?
The InChIKey is INJGRTRGBZNUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-16-13-6-8-14(9-7-13)20(18,19)17-11-10-12-4-2-3-5-15(12)17/h2-9,16H,10-11H2,1H3.
What are the key properties of 4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylaniline?
4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylaniline has a molecular weight of 288.37 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylaniline is sourced from PubChem (CID 43332089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).