4-(2,3-dihydroindol-1-ylsulfonyl)aniline

C14H14N2O2S — CID 576320

IUPAC4-(2,3-dihydroindol-1-ylsulfonyl)aniline
SMILESNc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C14H14N2O2S/c15-12-5-7-13(8-6-12)19(17,18)16-10-9-11-3-1-2-4-14(11)16/h1-8H,9-10,15H2
InChIKeyXKBHHJLZPOQOFS-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.02
Rot. Bonds2

About 4-(2,3-dihydroindol-1-ylsulfonyl)aniline

4-(2,3-dihydroindol-1-ylsulfonyl)aniline (PubChem CID 576320) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-ylsulfonyl)aniline.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-ylsulfonyl)aniline
PubChem CID576320
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Name4-(2,3-dihydroindol-1-ylsulfonyl)aniline
SMILESNc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C14H14N2O2S/c15-12-5-7-13(8-6-12)19(17,18)16-10-9-11-3-1-2-4-14(11)16/h1-8H,9-10,15H2
InChIKeyXKBHHJLZPOQOFS-UHFFFAOYSA-N
XLogP2.02
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindol-1-ylsulfonyl)aniline?
The IUPAC name of 4-(2,3-dihydroindol-1-ylsulfonyl)aniline (CID 576320) is 4-(2,3-dihydroindol-1-ylsulfonyl)aniline.
What is the SMILES notation for 4-(2,3-dihydroindol-1-ylsulfonyl)aniline?
The canonical SMILES for 4-(2,3-dihydroindol-1-ylsulfonyl)aniline is Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of 4-(2,3-dihydroindol-1-ylsulfonyl)aniline?
The InChIKey is XKBHHJLZPOQOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c15-12-5-7-13(8-6-12)19(17,18)16-10-9-11-3-1-2-4-14(11)16/h1-8H,9-10,15H2.
What are the key properties of 4-(2,3-dihydroindol-1-ylsulfonyl)aniline?
4-(2,3-dihydroindol-1-ylsulfonyl)aniline has a molecular weight of 274.35 g/mol, XLogP of 2.02, 2 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)aniline is sourced from PubChem (CID 576320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).